UCSF

ZINC19389255

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 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) 2.96 6.38 -45.41 3 2 1 31 326.283 5
Hi High (pH 8-9.5) 2.96 5.46 -3.03 2 2 0 29 325.275 5

Activity (Go SEA)

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