UCSF

ZINC66156754

Substance Information

In ZINC since Heavy atoms Benign functionality
August 20th, 2011 17 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) 5.92 6.62 -30.94 1 2 -1 39 463.758 1
Hi High (pH 8-9.5) 5.92 6.17 -93.11 0 2 -2 37 462.75 1
Mid Mid (pH 6-8) 5.92 5.98 -3.18 2 2 0 36 464.766 1

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

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