UCSF

ZINC36878205

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 20 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) -1.75 1.58 -44.43 4 6 1 103 298.388 5
Hi High (pH 8-9.5) -1.75 1.38 -19.97 3 6 0 102 297.38 5
Mid Mid (pH 6-8) -1.75 1.88 -140.22 5 6 2 105 299.396 5
Mid Mid (pH 6-8) -1.75 1.67 -69.45 4 6 1 104 298.388 5

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

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