UCSF

ZINC53937043

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) 1.72 2.49 -41.05 3 4 1 43 292.447 7
Mid Mid (pH 6-8) 1.72 3.72 -38.19 3 4 1 40 292.447 7
Lo Low (pH 4.5-6) 1.72 4.45 -113.36 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.