UCSF

ZINC08731484

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2007 18 Yes

Popular Name: 2-(3-Pyrrolidin-1-yl-propoxy)-benzoic acid 2-(3-Pyrrolidin-1-yl-propoxy)-be…

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CAS Number: 802882-13-9

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) 2.64 1.04 -72.61 1 4 0 53 249.31 6 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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