UCSF

ZINC62964850

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 18 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) -0.41 5.49 -103.13 4 3 2 35 247.386 2
Hi High (pH 8-9.5) -0.41 2.77 -2.88 2 3 0 32 245.37 2
Mid Mid (pH 6-8) -0.41 5.19 -36.21 3 3 1 34 246.378 2

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

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