UCSF

ZINC08782778

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2007 17 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) 2.49 -0.83 -9.68 2 4 0 57 232.283 2
Lo Low (pH 4.5-6) 2.49 -0.68 -23.8 3 4 1 59 233.291 2

Activity (Go SEA)

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