UCSF

ZINC19833494

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 17 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) -0.21 4.86 -51.85 3 4 1 72 232.307 5
Mid Mid (pH 6-8) -0.21 4.53 -13.1 2 4 0 70 231.299 5

Activity (Go SEA)

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