UCSF

ZINC26507621

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2009 21 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) -0.19 -4.83 -14.65 5 9 0 140 295.299 3
Lo Low (pH 4.5-6) -0.19 -4.29 -33.98 6 9 1 141 296.307 3

Activity (Go SEA)

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