UCSF

ZINC41685261

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 20 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) -0.73 4.16 -48.83 3 7 1 92 286.352 10
Mid Mid (pH 6-8) -0.73 2.81 -15.81 2 7 0 88 285.344 10

Activity (Go SEA)

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