In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 2nd, 2010 | 15 | Yes |
Popular Name: [(3S)-3-(isobutylamino)-1-isopropyl-pyrrolidin-3-yl]methanol [(3S)-3-(isobutylamino)-1-isopro…
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) | 1.48 | 2.41 | -30.65 | 3 | 3 | 1 | 37 | 215.361 | 5 | ↓ |
Lo Low (pH 4.5-6) | 1.48 | 1.18 | -32.07 | 3 | 3 | 1 | 40 | 215.361 | 5 | ↓ |
Lo Low (pH 4.5-6) | 1.48 | 3.58 | -101.24 | 4 | 3 | 2 | 41 | 216.369 | 5 | ↓ |