UCSF

ZINC53937028

Substance Information

In ZINC since Heavy atoms Benign functionality
November 27th, 2010 21 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) 0.79 2.28 -41.93 3 4 1 43 292.447 7
Mid Mid (pH 6-8) 0.79 3.41 -38.75 3 4 1 40 292.447 7
Lo Low (pH 4.5-6) 0.79 4.54 -116.25 4 4 2 45 293.455 7

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

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