UCSF

ZINC62982545

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2011 19 Yes

Popular Name: (2S)-2-(cyclopropylamino)-3-[(3S)-3-(1-piperidyl)pyrrolidin-1-yl]propanenitrile (2S)-2-(cyclopropylamino)-3-[(3S…

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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) 1.32 6.31 -35.98 2 4 1 43 263.409 5 ↓
Hi High (pH 8-9.5) 1.32 4.13 -3.65 1 4 0 42 262.401 5 ↓
Lo Low (pH 4.5-6) 1.32 6.28 -98.25 3 4 2 48 264.417 5 ↓

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

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