In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 2nd, 2010 | 14 | Yes |
Popular Name: (2S)-2-[[(3S)-1-isopropylpyrrolidin-3-yl]amino]propanamide (2S)-2-[[(3S)-1-isopropylpyrroli…
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) | 0.54 | 0.64 | -35.1 | 4 | 4 | 1 | 60 | 200.306 | 4 | ↓ |
Hi High (pH 8-9.5) | 0.54 | -1.69 | -7.06 | 3 | 4 | 0 | 58 | 199.298 | 4 | ↓ |
Lo Low (pH 4.5-6) | 0.54 | -0.64 | -37.86 | 4 | 4 | 1 | 63 | 200.306 | 4 | ↓ |