UCSF

ZINC19362315

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 15 Yes

Popular Name: (1-Ethyl-pyrrolidin-2-ylmethyl)-thiophen-2-ylmethyl-amine (1-Ethyl-pyrrolidin-2-ylmethyl)-…

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CAS Number: 726163-51-5

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) 2.19 6.44 -31.6 2 2 1 16 225.381 5 ↓
Hi High (pH 8-9.5) 2.19 4.09 -1.56 1 2 0 15 224.373 5 ↓
Mid Mid (pH 6-8) 2.19 5.39 -36.81 2 2 1 20 225.381 5 ↓
Mid Mid (pH 6-8) 2.19 7.73 -112.83 3 2 2 21 226.389 5 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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