UCSF

ZINC45652283

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 17 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) 1.24 3.81 -37.39 3 4 1 46 242.387 6
Hi High (pH 8-9.5) 1.24 1.46 -7.44 2 4 0 44 241.379 6
Lo Low (pH 4.5-6) 1.24 2.45 -37.25 3 4 1 49 242.387 6

Activity (Go SEA)

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