UCSF

ZINC40568000

Substance Information

In ZINC since Heavy atoms Benign functionality
April 9th, 2010 26 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) 3.39 7.13 -10.18 0 5 0 40 357.45 6
Mid Mid (pH 6-8) 3.39 8.8 -44.39 1 5 1 41 358.458 6

Activity (Go SEA)

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