UCSF

ZINC42825518

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 13 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) 0.37 1.12 -39.29 4 3 1 49 187.307 5
Mid Mid (pH 6-8) 0.37 2.56 -120.98 5 3 2 53 188.315 5

Activity (Go SEA)

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