In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 2nd, 2010 | 18 | Yes |
Popular Name: N-[(3S)-1-isopropylpyrrolidin-3-yl]-1-propyl-piperidin-4-amine N-[(3S)-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) | 2.22 | 7.47 | -78.74 | 3 | 3 | 2 | 21 | 255.45 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.22 | 6.37 | -108.21 | 3 | 3 | 2 | 24 | 255.45 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.22 | 5.14 | -33.55 | 2 | 3 | 1 | 20 | 254.442 | 5 | ↓ |