UCSF

ZINC62982330

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2011 21 Yes

Popular Name: 3-[5-[[(3S)-3-morpholinopyrrolidin-1-yl]methyl]-2-thienyl]prop-2-yn-1-amine 3-[5-[[(3S)-3-morpholinopyrrolid…

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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) 0.88 1.87 -6.56 2 4 0 42 305.447 3 ↓
Mid Mid (pH 6-8) 0.88 2.28 -48.79 3 4 1 43 306.455 3 ↓
Lo Low (pH 4.5-6) 0.88 4.49 -91.09 4 4 2 45 307.463 3 ↓
Lo Low (pH 4.5-6) 0.88 4.8 -96.12 4 4 2 45 307.463 3 ↓

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Rings

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

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