UCSF

ZINC00065182

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 14 Yes

CAS Numbers: 230-07-9 , 9/7/230

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) 2.51 5.14 -9.22 0 2 0 26 180.21 0

Vendor Notes

Note Type Comments Provided By
Mp [°C] 172 - 174 Acros Organics
PUBCHEM_PATENT_ID EP0536606A3; US5326643; US5569739; US5582858; US5599582 IBM Patent Data
H phrase H302: Harmful if swallowed Acros Organics
P phrase P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell Acros Organics
R phrase R22: Harmful if swallowed. Acros Organics
Hazard XN: Harmful Acros Organics

Activity (Go SEA)

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