UCSF

ZINC62798460

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2011 18 Yes

Download: MOL2 SDF SMILES Flexibase

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) -0.55 5.34 -51.49 3 4 1 55 244.318 3
Hi High (pH 8-9.5) -0.55 5.03 -9.5 2 4 0 53 243.31 3
Mid Mid (pH 6-8) -0.55 6 -82.96 4 4 2 56 245.326 3

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

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