UCSF

ZINC31996671

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 13 Yes

Popular Name: N-Cyclohexyl-N-methyl-3-pyrrolidinamine dihydrochloride N-Cyclohexyl-N-methyl-3-pyrrolid…

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CAS Numbers: 1219957-33-1 , N/A , [1219957-33-1]

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 4.18 -31.48 2 2 1 16 183.319 2 ↓
Hi High (pH 8-9.5) 2.15 2.09 -0.67 1 2 0 15 182.311 2 ↓
Lo Low (pH 4.5-6) 2.15 3.45 -35.79 2 2 1 20 183.319 2 ↓
Lo Low (pH 4.5-6) 2.15 5.63 -106.19 3 2 2 21 184.327 2 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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