UCSF

ZINC05849626

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 17th, 2006 12 Yes

Popular Name: (2S,5S)-5-CARBOXYMETHYLPROLINE (2S,5S)-5-CARBOXYMETHYLPROLINE

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CAS Numbers: 176036-37-6 , 586409-91-8

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) -2.22 -1.63 -64.48 2 5 -1 96 172.16 3 ↓

Activity (Go SEA)

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