UCSF

ZINC22464971

Substance Information

In ZINC since Heavy atoms Benign functionality
December 16th, 2008 24 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) 3.39 8.29 -45.11 2 4 1 37 341.866 3
Hi High (pH 8-9.5) 3.39 6.89 -8.52 1 4 0 33 340.858 3
Lo Low (pH 4.5-6) 3.39 8.7 -84.26 3 4 2 38 342.874 3

Activity (Go SEA)

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