UCSF

ZINC19844135

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 20 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) 0.04 3.87 -14.04 3 6 0 88 271.324 5
Lo Low (pH 4.5-6) 0.04 4.7 -89.22 5 6 2 90 273.34 5
Lo Low (pH 4.5-6) 0.04 4.31 -40.15 4 6 1 89 272.332 5
Lo Low (pH 4.5-6) 0.04 4.26 -35.19 4 6 1 89 272.332 5

Activity (Go SEA)

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