UCSF

ZINC42409286

Substance Information

In ZINC since Heavy atoms Benign functionality
April 28th, 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) 0.66 0.17 -38.06 3 3 1 40 187.307 5
Mid Mid (pH 6-8) 0.66 2.3 -108.27 4 3 2 41 188.315 5
Mid Mid (pH 6-8) 0.66 0.87 -31.77 3 3 1 37 187.307 5

Activity (Go SEA)

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