UCSF

ZINC69232453

Substance Information

In ZINC since Heavy atoms Benign functionality
October 21st, 2011 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) 1.47 7.2 -34.69 2 5 1 46 296.435 6
Hi High (pH 8-9.5) 1.47 5.63 -4.84 1 5 0 45 295.427 6
Mid Mid (pH 6-8) 1.47 7.98 -82.03 3 5 2 51 297.443 6
Lo Low (pH 4.5-6) 1.47 7.44 -99.26 3 5 2 47 297.443 6

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

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