UCSF

ZINC40317025

Substance Information

In ZINC since Heavy atoms Benign functionality
April 5th, 2010 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) -0.96 -3.2 -16.23 4 9 0 124 316.387 5
Mid Mid (pH 6-8) -0.96 -1.07 -52.17 5 9 1 126 317.395 5

Activity (Go SEA)

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