UCSF

ZINC44514066

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2010 21 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) 1.51 7.39 -110 4 4 2 52 295.402 5
Hi High (pH 8-9.5) 1.51 5.2 -50.7 3 4 1 51 294.394 5

Activity (Go SEA)

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