UCSF

ZINC49567619

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2010 19 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) 1.61 3.37 -46.58 3 3 1 40 265.352 4
Hi High (pH 8-9.5) 1.61 2.38 -4.31 2 3 0 35 264.344 4
Mid Mid (pH 6-8) 1.61 4.86 -35.84 3 3 1 37 265.352 4

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

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