UCSF

ZINC42375111

Substance Information

In ZINC since Heavy atoms Benign functionality
April 27th, 2010 17 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) 2.77 6.62 -57.59 2 4 -1 75 234.275 4
Lo Low (pH 4.5-6) 2.77 6.49 -75.63 3 4 0 77 235.283 4

Activity (Go SEA)

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