UCSF

ZINC54681189

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2010 29 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) 3.42 11.06 -48.55 4 7 1 85 398.372 3
Mid Mid (pH 6-8) 3.29 10.62 -25.93 3 7 0 86 397.364 3
Mid Mid (pH 6-8) 3.29 11.13 -47.11 4 7 1 88 398.372 3

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

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