UCSF

ZINC71557053

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2011 21 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.30 2.03 -13.13 2 6 0 92 324.383 3
Hi High (pH 8-9.5) 2.76 -0.16 -93.82 0 6 -2 97 322.367 3
Mid Mid (pH 6-8) 2.30 2.47 -44.34 1 6 -1 94 323.375 3

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

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