UCSF

ZINC04919861

Substance Information

In ZINC since Heavy atoms Benign functionality
January 11th, 2006 25 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) 2.71 7.56 -11.24 0 6 0 58 382.917 3
Lo Low (pH 4.5-6) 2.71 7.38 -46.44 1 6 1 60 383.925 3

Activity (Go SEA)

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