UCSF

ZINC55102072

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 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) 2.23 6.85 -39.02 1 4 1 26 295.357 4
Hi High (pH 8-9.5) 2.23 4.59 -6.89 0 4 0 24 294.349 4
Lo Low (pH 4.5-6) 2.23 7.21 -83.85 2 4 2 27 296.365 4

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

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