UCSF

ZINC50065619

Substance Information

In ZINC since Heavy atoms Benign functionality
October 15th, 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) -0.45 7.28 -52.19 1 6 1 61 241.315 7
Mid Mid (pH 6-8) -0.45 4.96 -17.16 0 6 0 60 240.307 7

Activity (Go SEA)

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