UCSF

ZINC53937027

Substance Information

In ZINC since Heavy atoms Benign functionality
November 27th, 2010 20 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) -0.56 0.57 -47.22 4 4 1 54 278.42 6
Mid Mid (pH 6-8) -0.56 2.51 -35.41 4 4 1 54 278.42 6
Lo Low (pH 4.5-6) -0.56 2.82 -121.68 5 4 2 56 279.428 6

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

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