UCSF

ZINC21793561

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 18 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) 3.73 7.68 -33.92 2 3 1 29 291.246 6
Hi High (pH 8-9.5) 3.73 5.63 -2.38 1 3 0 28 290.238 6

Activity (Go SEA)

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