UCSF

ZINC44830468

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2010 25 Yes

CAS Numbers: 41570-61-0 , [41570-61-0]

Download: MOL2 SDF SMILES Flexibase

Physical Representations

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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 5.47 6.87 -5.46 3 3 0 61 346.511 7

Vendor Notes

Note Type Comments Provided By
MP 156o C Indofine
MP 181°C Indofine
SOLUBILITY Water, methanol, glycerol,propylene glycol Indofine

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )

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