UCSF

ZINC19835014

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 16 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 3.6 -26.05 3 6 0 84 236.304 4
Lo Low (pH 4.5-6) 0.04 4.07 -40.73 4 6 1 85 237.312 4

Activity (Go SEA)

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