UCSF

ZINC04495769

Substance Information

In ZINC since Heavy atoms Benign functionality
December 5th, 2005 18 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) -0.29 0.11 -16.56 2 7 0 103 273.314 2
Mid Mid (pH 6-8) 0.17 -2.7 -49.66 1 7 -1 106 272.306 2
Mid Mid (pH 6-8) 0.17 -1.83 -36.98 1 7 -1 106 272.306 2

Activity (Go SEA)

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