UCSF

ZINC42430150

Substance Information

In ZINC since Heavy atoms Benign functionality
April 28th, 2010 21 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) 0.94 2.72 -20.47 3 6 0 84 288.351 3
Mid Mid (pH 6-8) 0.94 2.89 -27.15 4 6 1 85 289.359 3

Activity (Go SEA)

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