UCSF

ZINC09232835

Substance Information

In ZINC since Heavy atoms Benign functionality
August 15th, 2007 30 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) 1.84 8.39 -73.54 1 7 0 87 429.542 8
Mid Mid (pH 6-8) 2.29 8.68 -44.97 2 7 1 84 430.55 7

Activity (Go SEA)

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