UCSF

ZINC36977031

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 17 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) 2.76 5.3 -40.02 3 3 1 46 273.809 3
Mid Mid (pH 6-8) 2.76 4.83 -6.28 2 3 0 41 272.801 3

Activity (Go SEA)

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