UCSF

ZINC71502769

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2011 25 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) 4.27 12.51 -45.73 1 4 1 31 338.475 8
Mid Mid (pH 6-8) 4.27 10.53 -28.09 1 4 1 32 338.475 8
Mid Mid (pH 6-8) 4.27 10.04 -10.08 0 4 0 30 337.467 8

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

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