UCSF

ZINC42091312

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2010 24 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) 1.64 5.84 -17.54 2 6 0 88 320.352 4
Hi High (pH 8-9.5) 2.09 3.99 -57.49 1 6 -1 91 319.344 4
Lo Low (pH 4.5-6) 1.64 6.3 -52.88 3 6 1 89 321.36 4

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

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