UCSF

ZINC04428360

Substance Information

In ZINC since Heavy atoms Benign functionality
November 28th, 2005 21 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) -0.42 8.69 -470.44 0 10 -5 201 293.119 5
Mid Mid (pH 6-8) -0.42 6.57 -315.34 1 10 -4 198 294.127 5
Lo Low (pH 4.5-6) -0.42 4.47 -180.61 2 10 -3 195 295.135 5

Activity (Go SEA)

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