UCSF

ZINC35728224

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2009 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) 0.12 3.01 -51.31 3 4 1 49 246.334 1
Mid Mid (pH 6-8) 0.12 1.73 -8.03 2 4 0 44 245.326 1

Activity (Go SEA)

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