UCSF

ZINC05376029

Substance Information

In ZINC since Heavy atoms Benign functionality
January 31st, 2006 25 No

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) 4.15 7.8 -40.58 0 5 -1 66 352.37 2
Ref Reference (pH 7) 5.10 6.05 -44.5 0 5 -1 70 352.37 1
Mid Mid (pH 6-8) 4.64 7.88 -9 1 5 0 67 353.378 1
Mid Mid (pH 6-8) 4.64 8.3 -8.63 1 5 0 67 353.378 1

Activity (Go SEA)

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