UCSF

ZINC62567958

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: (7R)-1-cyclohexyl-7-methyl-1,4-diazepane (7R)-1-cyclohexyl-7-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) 2.15 4.06 -35.72 2 2 1 20 197.346 1 ↓
Hi High (pH 8-9.5) 2.15 2.79 -0.92 1 2 0 15 196.338 1 ↓
Mid Mid (pH 6-8) 2.15 4.7 -26.71 2 2 1 16 197.346 1 ↓
Lo Low (pH 4.5-6) 2.15 5.96 -108.45 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.