UCSF

ZINC41191929

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2010 19 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) 4.09 8.62 -37.58 2 2 1 29 338.294 4
Mid Mid (pH 6-8) 4.09 7.51 -6.08 1 2 0 25 337.286 4

Activity (Go SEA)

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