UCSF

ZINC48953244

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2010 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) 1.37 5.27 -51.52 3 3 1 34 306.499 5
Hi High (pH 8-9.5) 1.37 7.63 -32.7 3 3 1 34 306.499 5
Mid Mid (pH 6-8) 1.37 7.62 -106.98 4 3 2 35 307.507 5
Lo Low (pH 4.5-6) 1.37 7.71 -209.07 5 3 3 37 308.515 5
Lo Low (pH 4.5-6) 1.37 5.35 -117.5 4 3 2 35 307.507 5

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

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