UCSF

ZINC69676530

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2011 22 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 1.03 0.6 -49.46 1 8 -1 116 320.306 4
Hi High (pH 8-9.5) 1.49 -2.02 -100.72 0 8 -2 119 319.298 4
Mid Mid (pH 6-8) 1.03 1.13 -15.9 2 8 0 114 321.314 4

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

No pre-computed analogs available. Try a structural similarity search.