UCSF

ZINC48630623

Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 2010 17 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) -2.09 -1.12 -46.8 6 6 1 110 235.267 3
Mid Mid (pH 6-8) -2.09 -1.43 -11.57 5 6 0 108 234.259 3

Activity (Go SEA)

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