UCSF

ZINC33489098

Substance Information

In ZINC since Heavy atoms Benign functionality
July 10th, 2009 33 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) -1.28 8.59 -30.27 3 9 1 106 453.567 8
Mid Mid (pH 6-8) -1.28 10.92 -81.05 4 9 2 107 454.575 8

Activity (Go SEA)

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