UCSF

ZINC19516978

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 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) -0.45 0.65 -58.41 3 6 -1 110 252.246 4
Hi High (pH 8-9.5) -0.45 1.68 -115.11 2 6 -2 113 251.238 4

Activity (Go SEA)

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