UCSF

ZINC62967695

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 16 No

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) 2.55 7.5 -32.59 1 2 1 8 245.818 6
Hi High (pH 8-9.5) 2.55 5.1 -2.33 0 2 0 6 244.81 6
Mid Mid (pH 6-8) 2.55 7.49 -35.58 1 2 1 8 245.818 6
Mid Mid (pH 6-8) 2.55 9.87 -105.99 2 2 2 9 246.826 6

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

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