UCSF

ZINC05234070

Substance Information

In ZINC since Heavy atoms Benign functionality
January 26th, 2006 24 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) 5.55 -2.76 -8.87 1 3 0 46 357.862 4
Hi High (pH 8-9.5) 5.55 -2.18 -40.64 0 3 -1 48 356.854 4

Activity (Go SEA)

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