UCSF

ZINC49328770

Substance Information

In ZINC since Heavy atoms Benign functionality
September 27th, 2010 17 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) -1.02 9.76 -71.91 2 5 1 64 238.311 5
Hi High (pH 8-9.5) -1.02 7.15 -48.07 0 5 -1 61 236.295 5
Mid Mid (pH 6-8) -1.02 9.24 -37.8 1 5 0 62 237.303 5

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

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