UCSF

ZINC44720892

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2010 18 No

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) -0.45 2.71 -51.71 2 6 1 72 259.326 9
Mid Mid (pH 6-8) -0.45 1.38 -13.58 1 6 0 68 258.318 9

Activity (Go SEA)

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