UCSF

ZINC65578563

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2011 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) 2.49 9.03 -38.69 1 6 1 65 327.408 5
Hi High (pH 8-9.5) 2.49 6.9 -16.19 0 6 0 64 326.4 5

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

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