UCSF

ZINC71602549

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2011 9 Yes

Popular Name: (3R)-3-(azetidin-1-yl)pyrrolidine (3R)-3-(azetidin-1-yl)pyrrolidine

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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) 0.38 0.55 -34.52 2 2 1 20 127.211 1 ↓
Hi High (pH 8-9.5) 0.38 -0.93 -1.26 1 2 0 15 126.203 1 ↓
Mid Mid (pH 6-8) 0.38 2.03 -31.19 2 2 1 16 127.211 1 ↓
Lo Low (pH 4.5-6) 0.38 3.49 -99.94 3 2 2 21 128.219 1 ↓

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

No pre-computed analogs available. Try a structural similarity search.