UCSF

ZINC33854764

Substance Information

In ZINC since Heavy atoms Benign functionality
July 30th, 2009 22 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) 1.05 0.65 -26.97 3 6 0 98 301.346 3
Mid Mid (pH 6-8) 0.50 0.7 -35.9 3 6 0 98 301.346 3

Activity (Go SEA)

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