UCSF

ZINC04728811

Substance Information

In ZINC since Heavy atoms Benign functionality
January 1st, 2006 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) 3.79 -0.27 -9.49 1 3 0 41 285.35 3
Lo Low (pH 4.5-6) 3.79 -0.17 -35.86 2 3 1 42 286.358 3

Activity (Go SEA)

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