UCSF

ZINC20383143

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2008 18 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) 2.20 6.66 -81.36 5 4 2 57 252.406 8
Mid Mid (pH 6-8) 2.20 6.23 -35.5 4 4 1 55 251.398 8

Activity (Go SEA)

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