UCSF

ZINC40162308

Substance Information

In ZINC since Heavy atoms Benign functionality
March 26th, 2010 11 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) -0.44 2.47 -47.3 2 3 1 48 155.221 2
Mid Mid (pH 6-8) -0.44 0.23 -7.46 1 3 0 47 154.213 2

Activity (Go SEA)

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