UCSF

ZINC54968232

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2010 20 No

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) 2.11 4.51 -52.49 0 6 -1 90 317.412 3
Lo Low (pH 4.5-6) 2.11 4.83 -46.68 1 6 0 92 318.42 3

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

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