UCSF

ZINC20441533

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2008 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) 1.93 5.48 -38.33 2 4 1 34 235.355 2
Lo Low (pH 4.5-6) 1.93 5.58 -81.94 3 4 2 36 236.363 2

Activity (Go SEA)

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