UCSF

ZINC00473312

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 22 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) 3.15 7.86 -8.47 1 4 0 42 296.37 3
Lo Low (pH 4.5-6) 3.22 5.97 -27.5 2 4 1 46 297.378 3

Activity (Go SEA)

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