UCSF

ZINC62567952

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 3rd, 2011 14 Yes

Popular Name: (3R)-1-cyclohexyl-3-methyl-1,4-diazepane (3R)-1-cyclohexyl-3-methyl-1,4-d…

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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) 2.50 4.77 -33.97 2 2 1 20 197.346 1 ↓
Hi High (pH 8-9.5) 2.50 3.6 -0.81 1 2 0 15 196.338 1 ↓
Mid Mid (pH 6-8) 2.50 5.52 -28.62 2 2 1 16 197.346 1 ↓
Lo Low (pH 4.5-6) 2.50 6.71 -105.76 3 2 2 21 198.354 1 ↓

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Rings

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

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