UCSF

ZINC19833253

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 18 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) -0.07 4.58 -62.27 4 5 1 83 247.322 6
Mid Mid (pH 6-8) -0.07 2.18 -16.12 3 5 0 82 246.314 6

Activity (Go SEA)

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