UCSF

ZINC33687815

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2009 22 Yes

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) -1.78 6.87 -202.14 1 8 -3 149 308.266 7
Lo Low (pH 4.5-6) -1.78 3.29 -120.99 2 8 -2 147 309.274 7

Activity (Go SEA)

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