UCSF

ZINC62967763

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) 1.87 1.97 -34.09 1 5 1 57 224.332 5
Hi High (pH 8-9.5) 1.87 1.96 -38.17 1 5 1 57 224.332 5
Hi High (pH 8-9.5) 1.87 -0.43 -2.7 0 5 0 56 223.324 5
Mid Mid (pH 6-8) 1.87 4.35 -109.5 2 5 2 59 225.34 5

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

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