UCSF

ZINC40175666

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2010 18 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) 3.39 8.36 -48.91 0 3 -1 39 260.338 3
Mid Mid (pH 6-8) 2.83 8.8 -20.44 1 3 0 42 261.346 3

Activity (Go SEA)

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