UCSF

ZINC62977233

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2011 35 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

    None

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) 4.80 13.22 -105.87 3 7 0 86 480.605 9
Hi High (pH 8-9.5) 4.80 11.01 -10.75 1 7 0 83 478.589 9
Hi High (pH 8-9.5) 4.80 13.97 -31.1 1 7 0 87 478.589 9
Hi High (pH 8-9.5) 4.80 11.77 -46.69 0 7 -1 86 477.581 9
Mid Mid (pH 6-8) 4.80 13.22 -46.52 2 7 1 84 479.597 9
Mid Mid (pH 6-8) 4.80 13.98 -75.87 2 7 0 88 479.597 9
Mid Mid (pH 6-8) 4.80 11 -48.57 2 7 0 84 479.597 9

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

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