UCSF

ZINC46066610

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2010 22 Yes

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) 0.08 5.15 -13.74 0 7 0 65 309.324 7
Mid Mid (pH 6-8) 0.08 5.4 -42.57 1 7 1 66 310.332 7
Mid Mid (pH 6-8) 0.08 7.53 -40.33 1 7 1 66 310.332 7

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

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