UCSF

ZINC40455361

Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 2010 25 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) 1.89 5.41 -9.66 3 7 0 99 339.399 4
Lo Low (pH 4.5-6) 1.89 5.88 -35.35 4 7 1 100 340.407 4

Activity (Go SEA)

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