UCSF

ZINC43705053

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2010 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) 1.72 5.62 -49.99 2 4 1 44 246.334 3
Mid Mid (pH 6-8) 1.72 4.25 -9.98 1 4 0 39 245.326 3

Activity (Go SEA)

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