UCSF

ZINC21303851

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 3rd, 2008 16 Yes

Popular Name: (3-(Pyrrolidin-1-ylsulfonyl)phenyl)methanamine (3-(Pyrrolidin-1-ylsulfonyl)phen…

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CAS Numbers: 953727-42-9 , [953727-42-9]

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) 0.81 1.63 -54.64 3 4 1 65 241.336 3 ↓
Hi High (pH 8-9.5) 0.81 1.24 -9.19 2 4 0 63 240.328 3 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem

Activity (Go SEA)

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