UCSF

ZINC66139150

Substance Information

In ZINC since Heavy atoms Benign functionality
August 19th, 2011 26 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) 2.72 11.06 -93.07 4 6 2 69 359.449 9
Hi High (pH 8-9.5) 2.72 8.57 -7.09 2 6 0 66 357.433 9
Mid Mid (pH 6-8) 2.72 10.71 -38.59 3 6 1 67 358.441 9

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

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