UCSF

ZINC47953436

Substance Information

In ZINC since Heavy atoms Benign functionality
September 9th, 2010 15 Yes

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) 0.96 4.79 -35.79 1 4 1 34 215.317 4
Mid Mid (pH 6-8) 0.96 4.41 -34.54 1 4 1 34 215.317 4
Lo Low (pH 4.5-6) 0.96 7.02 -96.77 2 4 2 35 216.325 4

Activity (Go SEA)

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