UCSF

ZINC12490873

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2008 37 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) 4.12 9.59 -44.98 5 6 1 95 503.711 9
Lo Low (pH 4.5-6) 4.12 9.99 -121.44 6 6 2 96 504.719 9

Activity (Go SEA)

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