UCSF

ZINC71556397

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2011 30 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) 3.90 9.1 -58.2 1 7 0 84 447.582 9
Hi High (pH 8-9.5) 3.90 6.57 -61.52 0 7 -1 83 446.574 9
Mid Mid (pH 6-8) 4.83 8.98 -50.84 2 7 1 85 448.59 8

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

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