UCSF

ZINC05728904

Substance Information

In ZINC since Heavy atoms Benign functionality
February 10th, 2006 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) 0.24 6.23 -33.73 3 5 0 85 277.711 2
Mid Mid (pH 6-8) 0.24 6.68 -82.73 4 5 1 87 278.719 2

Activity (Go SEA)

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