UCSF

ZINC62944968

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2011 20 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) 1.86 6.78 -48.38 3 4 1 49 271.388 2
Hi High (pH 8-9.5) 1.86 6.44 -5.77 2 4 0 47 270.38 2
Hi High (pH 8-9.5) 1.86 6.51 -24.58 3 4 1 48 271.388 2
Lo Low (pH 4.5-6) 1.86 6.91 -103.79 4 4 2 50 272.396 2

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

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