In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 15th, 2011 | 23 | Yes |
Popular Name: (2S)-1-butanoyl-N-[2-(4-ethylpiperazin-1-yl)ethyl]pyrrolidine-2-carboxamide (2S)-1-butanoyl-N-[2-(4-ethylpip…
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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) | 0.90 | 6.17 | -46.15 | 2 | 6 | 1 | 57 | 325.477 | 7 | ↓ |
Hi High (pH 8-9.5) | 0.90 | 3.89 | -16.89 | 1 | 6 | 0 | 56 | 324.469 | 7 | ↓ |