UCSF

ZINC67513750

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 10th, 2011 23 Yes

Popular Name: 9-[(3,5-dichloro-2-hydroxy-phenyl)methyl]-5-methyl-2,5,9-triazaspiro[5.5]undecan-1-one 9-[(3,5-dichloro-2-hydroxy-pheny…

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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) 2.19 2.71 -35.65 3 5 1 57 359.277 2 ↓
Hi High (pH 8-9.5) 2.19 1.19 -41.14 1 5 -1 59 357.261 2 ↓
Mid Mid (pH 6-8) 2.19 0.45 -7.22 2 5 0 56 358.269 2 ↓
Mid Mid (pH 6-8) 2.19 3.47 -23.47 2 5 0 60 358.269 2 ↓

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Rings

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

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