UCSF

ZINC66887649

Substance Information

In ZINC since Heavy atoms Benign functionality
September 2nd, 2011 22 No

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) 3.04 3.68 -38.01 2 4 1 47 317.434 5
Hi High (pH 8-9.5) 3.04 3.88 -6.72 1 4 0 45 316.426 5
Hi High (pH 8-9.5) 3.04 2.65 -8.32 1 4 0 45 316.426 5
Mid Mid (pH 6-8) 3.04 6.05 -39.73 2 4 1 46 317.434 5
Mid Mid (pH 6-8) 3.04 4.77 -35.66 2 4 1 46 317.434 5
Lo Low (pH 4.5-6) 3.04 6.91 -46.54 3 4 0 48 318.442 5
Lo Low (pH 4.5-6) 3.04 5.8 -109.95 3 4 2 48 318.442 5

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

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