UCSF

ZINC19883775

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 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) 2.84 9.68 -71.46 1 6 0 78 402.878 7
Lo Low (pH 4.5-6) 2.84 8.86 -47.6 2 6 1 75 403.886 7

Activity (Go SEA)

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