UCSF

ZINC67946977

Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 2011 26 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) 3.08 11.67 -93.25 2 4 2 17 356.558 3
Hi High (pH 8-9.5) 3.08 9.22 -34.84 1 4 1 16 355.55 3
Hi High (pH 8-9.5) 3.08 7.5 -4.91 0 4 0 15 354.542 3
Mid Mid (pH 6-8) 3.08 9.44 -34.35 1 4 1 16 355.55 3
Mid Mid (pH 6-8) 3.08 9.73 -37.18 1 4 1 16 355.55 3

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

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