UCSF

ZINC62958970

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 17 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) 2.56 8.06 -110.75 3 2 2 21 238.419 1
Hi High (pH 8-9.5) 2.56 5.73 -37.06 2 2 1 20 237.411 1
Hi High (pH 8-9.5) 2.56 4.48 -0.41 1 2 0 15 236.403 1
Mid Mid (pH 6-8) 2.56 6.8 -32.49 2 2 1 16 237.411 1

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

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