UCSF

ZINC49403103

Substance Information

In ZINC since Heavy atoms Benign functionality
September 28th, 2010 19 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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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) 2.44 5.84 -42.42 2 4 1 45 326.214 2
Hi High (pH 8-9.5) 2.44 4.45 -47.76 0 4 -1 47 324.198 2
Mid Mid (pH 6-8) 2.44 3.62 -8.56 1 4 0 44 325.206 2

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

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