UCSF

ZINC62980723

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2011 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) 2.71 6.39 -34.49 2 3 1 20 274.432 4
Hi High (pH 8-9.5) 2.71 4.26 -2.29 1 3 0 19 273.424 4
Lo Low (pH 4.5-6) 2.71 8.8 -112.38 3 3 2 21 275.44 4
Lo Low (pH 4.5-6) 2.71 6.86 -90.03 3 3 2 24 275.44 4

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

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