UCSF

ZINC43914358

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2010 19 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) 2.17 4.12 -37.71 2 4 1 38 271.425 5
Lo Low (pH 4.5-6) 2.17 5.89 -111.63 3 4 2 40 272.433 5

Activity (Go SEA)

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