UCSF

ZINC19408353

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 19 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) 2.24 3.48 -45.07 3 4 1 55 275.25 4
Hi High (pH 8-9.5) 2.24 2.12 -10.46 2 4 0 50 274.242 4

Activity (Go SEA)

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