UCSF

ZINC44725408

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 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) 0.76 4.29 -85.22 3 3 2 24 211.353 3
Hi High (pH 8-9.5) 0.76 3.01 -29.76 2 3 1 20 210.345 3
Hi High (pH 8-9.5) 0.76 0.68 -1.34 1 3 0 19 209.337 3
Hi High (pH 8-9.5) 0.76 1.97 -37.78 2 3 1 23 210.345 3

Activity (Go SEA)

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