UCSF

ZINC49333920

Substance Information

In ZINC since Heavy atoms Benign functionality
September 27th, 2010 19 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) -0.40 2.14 -85.1 5 5 2 67 270.421 7
Mid Mid (pH 6-8) -0.40 3.95 -180.22 6 5 3 69 271.429 7
Mid Mid (pH 6-8) -0.40 0.16 -36.82 4 5 1 63 269.413 7

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

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