UCSF

ZINC00417883

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 24 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) 3.69 -1.89 -13.24 2 5 0 58 323.396 4
Mid Mid (pH 6-8) 3.69 -1.71 -29.87 3 5 1 60 324.404 4

Activity (Go SEA)

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