UCSF

ZINC05754543

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2006 26 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) 2.62 8.68 -22.24 1 7 0 98 352.346 7
Hi High (pH 8-9.5) 3.08 6.54 -62.98 0 7 -1 101 351.338 7

Activity (Go SEA)

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