UCSF

ZINC40148795

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2010 28 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) 0.39 15.88 -104.06 3 5 2 56 398.938 6
Hi High (pH 8-9.5) 0.39 13.66 -34.38 2 5 1 55 397.93 6

Activity (Go SEA)

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