UCSF

ZINC69145251

Substance Information

In ZINC since Heavy atoms Benign functionality
October 19th, 2011 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) -1.41 -3.68 -60.37 3 7 1 100 326.464 5
Hi High (pH 8-9.5) -1.41 -5.03 -21.55 2 7 0 96 325.456 5

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

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