UCSF

ZINC09158204

Substance Information

In ZINC since Heavy atoms Benign functionality
August 10th, 2007 36 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) 4.33 14.19 -24.39 0 9 0 108 482.496 6
Mid Mid (pH 6-8) 0.41 15.87 -26.34 1 9 1 107 483.504 7

Activity (Go SEA)

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