UCSF

ZINC54897605

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 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) 1.46 6.81 -48.72 3 3 1 44 278.376 2
Mid Mid (pH 6-8) 1.46 6.49 -9.32 2 3 0 42 277.368 2
Lo Low (pH 4.5-6) 1.46 7.25 -90.87 4 3 2 45 279.384 2

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

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