UCSF

ZINC37157661

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2009 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) 0.91 8.95 -81.5 3 4 2 36 250.39 4
Mid Mid (pH 6-8) 0.91 8.43 -31.9 2 4 1 34 249.382 4
Lo Low (pH 4.5-6) 0.91 8.61 -182.87 4 4 3 40 251.398 4
Lo Low (pH 4.5-6) 0.91 8.1 -99.98 3 4 2 39 250.39 4
Lo Low (pH 4.5-6) 0.91 6.25 -99.66 3 4 2 39 250.39 4

Activity (Go SEA)

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