UCSF

ZINC57819709

Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 2011 21 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) 3.25 4.72 -16.02 3 4 0 64 285.322 2
Mid Mid (pH 6-8) 3.25 5.18 -23.01 4 4 1 65 286.33 2

Activity (Go SEA)

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