UCSF

ZINC46052272

Substance Information

In ZINC since Heavy atoms Benign functionality
August 7th, 2010 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) 0.90 8.05 -42.44 1 6 1 58 308.402 5
Hi High (pH 8-9.5) 0.90 6.31 -11.91 0 6 0 57 307.394 5

Activity (Go SEA)

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