UCSF

ZINC62982770

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: (2R)-2-(cyclopropylamino)-2-methyl-3-[(3S)-3-morpholinopyrrolidin-1-yl]propanamide (2R)-2-(cyclopropylamino)-2-meth…

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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) -0.35 -0.43 -41.59 4 6 1 75 297.423 6 ↓
Hi High (pH 8-9.5) -0.35 -2.05 -6.54 3 6 0 71 296.415 6 ↓
Mid Mid (pH 6-8) -0.35 1.78 -98.88 5 6 2 77 298.431 6 ↓
Lo Low (pH 4.5-6) -0.35 0.33 -42.78 4 6 1 72 297.423 6 ↓

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Rings

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

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