UCSF

ZINC19889132

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 20 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) 3.29 6.03 -33.92 2 3 1 28 340.285 3
Hi High (pH 8-9.5) 3.29 6.95 -26.69 1 3 0 31 339.277 3

Activity (Go SEA)

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