UCSF

ZINC62948702

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2011 16 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) 1.41 4.27 -87.55 3 3 2 24 227.396 2
Hi High (pH 8-9.5) 1.41 0.82 -1.1 1 3 0 19 225.38 2
Hi High (pH 8-9.5) 1.41 2.06 -36.64 2 3 1 23 226.388 2
Hi High (pH 8-9.5) 1.41 3.03 -30.23 2 3 1 20 226.388 2

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

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