UCSF

ZINC37830209

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 19 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) 1.72 6.17 -64.65 1 5 -1 81 272.365 9
Lo Low (pH 4.5-6) 1.72 4.33 -13.96 2 5 0 78 273.373 9

Activity (Go SEA)

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