UCSF

ZINC69132084

Substance Information

In ZINC since Heavy atoms Benign functionality
October 19th, 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) 1.19 3.4 -39.71 4 5 1 72 296.435 6
Hi High (pH 8-9.5) 1.19 1.8 -5.9 3 5 0 68 295.427 6
Lo Low (pH 4.5-6) 1.19 4.87 -115.58 5 5 2 73 297.443 6
Lo Low (pH 4.5-6) 1.19 4 -36.59 4 5 1 69 296.435 6

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

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