UCSF

ZINC51971139

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2010 18 Yes

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) 2.99 7.47 -32.59 2 2 1 16 245.39 3
Mid Mid (pH 6-8) 2.99 8.73 -115.86 3 2 2 21 246.398 3
Mid Mid (pH 6-8) 2.99 6.56 -35.64 2 2 1 20 245.39 3

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

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