UCSF

ZINC40175895

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2010 19 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) 1.11 1.51 -10.54 4 6 0 90 261.281 5
Lo Low (pH 4.5-6) 1.11 1.35 -47.58 5 6 1 91 262.289 5

Activity (Go SEA)

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