UCSF

ZINC49661966

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2010 15 Yes

Popular Name: (5R)-1-(cyclohexylmethyl)-5-methyl-1,4-diazepane (5R)-1-(cyclohexylmethyl)-5-meth…

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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) 2.88 5.7 -33.21 2 2 1 20 211.373 2 ↓
Hi High (pH 8-9.5) 2.88 6.52 -30.4 2 2 1 16 211.373 2 ↓
Hi High (pH 8-9.5) 2.88 4.58 -0.82 1 2 0 15 210.365 2 ↓

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