UCSF

ZINC12790890

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2008 30 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) 3.30 8.35 -15.84 2 6 0 76 403.482 7
Mid Mid (pH 6-8) 3.30 8.8 -38.4 3 6 1 78 404.49 7

Activity (Go SEA)

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