In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 20th, 2010 | 14 | Yes |
Popular Name: N'-[(3S)-1-cyclopropylpyrrolidin-3-yl]-N-methyl-propane-1,3-diamine N'-[(3S)-1-cyclopropylpyrrolidin…
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) | 0.67 | 4.11 | -79.38 | 4 | 3 | 2 | 33 | 199.342 | 6 | ↓ |
Hi High (pH 8-9.5) | 0.67 | 3.86 | -105.84 | 4 | 3 | 2 | 33 | 199.342 | 6 | ↓ |
Hi High (pH 8-9.5) | 0.67 | 2.9 | -105.51 | 4 | 3 | 2 | 36 | 199.342 | 6 | ↓ |
Hi High (pH 8-9.5) | 0.67 | 1.46 | -38.58 | 3 | 3 | 1 | 32 | 198.334 | 6 | ↓ |
Hi High (pH 8-9.5) | 0.67 | 0.27 | -1.54 | 2 | 3 | 0 | 27 | 197.326 | 6 | ↓ |