Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	DL
Ref Reference (pH 7)	-0.92	-1.83	-7.75	2	2	0	43	59.068	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	-0.26	-4.1	-7.21	2	2	0	44	59.068	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	-0.26	-3.53	-32.99	3	2	1	46	60.076	↓ MOL2 SDF SMILES Flexibase

Note Type	Comments	Provided By
Boiling_Point	220-222?	Alfa-Aesar
Boiling_Point	220-222°	Alfa-Aesar
BP [°C]	221	Acros Organics
ALOGPS_SOLUBILITY	3.69e+02 g/l	DrugBank-experimental
Melting_Point	76-81?	Alfa-Aesar
Melting_Point	76-81°	Alfa-Aesar
Mp [°C]	79 - 81	Acros Organics
UniProt Database Links	AAM_RHOER; AMDA_MYCSM; AMDS_ASPOR; AMDS_EMENI; AMI1_ARATH; AMID_RHOER; AMIE_GEOSE; AMIE_HELPY; AMIE_PSEAE; AMIE_RHOER; CHBP_VIBPR; DBTEW_CARCR; FAAH_ARATH; FMDA_METME; FMDA_SCHPO; HEXI1_HUMAN; HEXI2_HUMAN; HYIN1_AGRVS; HYIN2_AGRVI; HYIN_AGRRH; HYIN_AGRT4	ChEBI
Patent Database Links	EP0936216; EP1004577; EP1022029; EP1055683; EP1082115; EP1082310; EP1157985; EP1283056; EP1323419; EP1323420; EP1329453; EP1332763; EP1422218; EP1445253; EP1449833; EP1466906; EP1491534; EP1553087; EP1571144; EP1577321; EP1582517; EP1595867; EP1609776; EP	ChEBI
H phrase	H351: Suspected of causing cancer	Acros Organics
P phrase	P301 + P310: IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician	Acros Organics
P phrase	P301 + P310: IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician; P281: Use personal protective equipment as required	Acros Organics
R phrase	R40: Limited evidence of a carcinogenic effect.	Acros Organics
S phrase	S36/37: Wear suitable protective clothing and gloves.	Acros Organics
PUBCHEM_PATENT_ID	WO1999066875A2	IBM Patent Data
Hazard	XN: Harmful	Acros Organics

No pre-computed analogs available. Try a structural similarity search.