UCSF

ZINC42409274

Substance Information

In ZINC since Heavy atoms Benign functionality
April 28th, 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) -0.85 -0.99 -39.45 3 3 1 40 159.253 3
Mid Mid (pH 6-8) -0.85 1.21 -110.91 4 3 2 41 160.261 3

Activity (Go SEA)

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