UCSF

ZINC67473205

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 10th, 2011 24 Yes

Popular Name: 3-[(6-chloro-2-fluoro-3-methyl-phenyl)methyl]-7-methyl-3,7,11-triazaspiro[5.6]dodecan-12-one 3-[(6-chloro-2-fluoro-3-methyl-p…

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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) 2.62 5.82 -41.33 2 4 1 37 354.877 2 ↓
Mid Mid (pH 6-8) 2.62 6.15 -30.29 2 4 1 37 354.877 2 ↓
Mid Mid (pH 6-8) 2.62 3.91 -8.99 1 4 0 36 353.869 2 ↓

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

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