In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 10th, 2010 | 17 | Yes |
Popular Name: (1R,2R)-1-[(2R)-2-ethylpyrrolidin-1-yl]-1-(3-methyl-2-thienyl)propan-2-amine (1R,2R)-1-[(2R)-2-ethylpyrrolidi…
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) | 2.68 | 4.46 | -40.46 | 3 | 2 | 1 | 31 | 253.435 | 4 | ↓ |
Hi High (pH 8-9.5) | 2.67 | 5.91 | -26.25 | 3 | 2 | 1 | 30 | 253.435 | 4 | ↓ |
Hi High (pH 8-9.5) | 2.68 | 4.12 | -1.91 | 2 | 2 | 0 | 29 | 252.427 | 4 | ↓ |
Lo Low (pH 4.5-6) | 2.68 | 6.23 | -101.1 | 4 | 2 | 2 | 32 | 254.443 | 4 | ↓ |