UCSF

ZINC12428224

Substance Information

In ZINC since Heavy atoms Benign functionality
May 15th, 2008 11 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) -0.11 -1.55 -35.36 1 7 -1 94 170.543 1
Hi High (pH 8-9.5) -0.11 -1.46 -6.53 2 7 0 96 171.551 1
Mid Mid (pH 6-8) -0.11 -1.53 -29.59 1 7 -1 94 170.543 1

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

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