UCSF

ZINC62982631

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: (2S)-2-(cyclopropylamino)-2-methyl-3-[(3S)-3-(1-piperidyl)pyrrolidin-1-yl]propanamide (2S)-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) 0.72 4.01 -95.88 5 5 2 67 296.459 6 ↓
Hi High (pH 8-9.5) 0.72 2.35 -37.12 4 5 1 63 295.451 6 ↓
Hi High (pH 8-9.5) 0.72 0.19 -5.93 3 5 0 62 294.443 6 ↓

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

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