UCSF

ZINC69159083

Substance Information

In ZINC since Heavy atoms Benign functionality
October 19th, 2011 28 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) 3.23 11.15 -46.68 4 8 1 103 380.428 5
Mid Mid (pH 6-8) 3.10 10.69 -21.93 3 8 0 104 379.42 5
Mid Mid (pH 6-8) 3.10 11.19 -44.89 4 8 1 105 380.428 5

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

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