UCSF

ZINC62982630

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-(1-piperidyl)pyrrolidin-1-yl]propanamide (2R)-2-(cyclopropylamino)-2-meth…

Find On: PubMed — Wikipedia — Google

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 3.66 -90.57 5 5 2 67 296.459 6 ↓
Hi High (pH 8-9.5) 0.72 3.66 -37.67 4 5 1 63 295.451 6 ↓
Hi High (pH 8-9.5) 0.72 1.5 -5.93 3 5 0 62 294.443 6 ↓

Activity (Go SEA)

Rings

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

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