UCSF

ZINC06831452

Substance Information

In ZINC since Heavy atoms Benign functionality
April 27th, 2006 27 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) 3.68 7.43 -13.66 1 7 0 82 403.895 7
Lo Low (pH 4.5-6) 3.68 8.15 -40.84 2 7 1 83 404.903 7

Activity (Go SEA)

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