UCSF

ZINC42781997

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 16 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) 2.64 4.62 -37.08 3 2 1 31 241.321 8
Lo Low (pH 4.5-6) 2.64 6.21 -120.68 4 2 2 32 242.329 8

Activity (Go SEA)

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