In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 2nd, 2010 | 15 | Yes |
Popular Name: N-[(3R)-1-isopropylpyrrolidin-3-yl]-N',N'-dimethyl-propane-1,3-diamine N-[(3R)-1-isopropylpyrrolidin-3-…
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) | 1.22 | 4.68 | -101.93 | 3 | 3 | 2 | 24 | 215.385 | 6 | ↓ |
Hi High (pH 8-9.5) | 1.22 | 4.62 | -107 | 3 | 3 | 2 | 24 | 215.385 | 6 | ↓ |
Hi High (pH 8-9.5) | 1.22 | 2.2 | -38.5 | 2 | 3 | 1 | 23 | 214.377 | 6 | ↓ |
Mid Mid (pH 6-8) | 1.22 | 5.93 | -76.27 | 3 | 3 | 2 | 21 | 215.385 | 6 | ↓ |