UCSF

ZINC62968509

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 19 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) 1.61 4.82 -35.59 2 4 1 43 265.425 7
Hi High (pH 8-9.5) 1.61 2.72 -3.46 1 4 0 42 264.417 7
Lo Low (pH 4.5-6) 1.61 5.92 -92.38 3 4 2 48 266.433 7

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

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