In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 2nd, 2010 | 18 | Yes |
Popular Name: 1-[(2S)-2-[[(3R)-1-isopropylpyrrolidin-3-yl]amino]propyl]pyrrolidin-2-one 1-[(2S)-2-[[(3R)-1-isopropylpyrr…
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) | 1.00 | 5.8 | -33.1 | 2 | 4 | 1 | 37 | 254.398 | 5 | ↓ |
Hi High (pH 8-9.5) | 1.00 | 3.4 | -8.31 | 1 | 4 | 0 | 36 | 253.39 | 5 | ↓ |
Lo Low (pH 4.5-6) | 1.00 | 4.54 | -41.01 | 2 | 4 | 1 | 40 | 254.398 | 5 | ↓ |