In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 20th, 2010 | 18 | Yes |
Popular Name: (3R,6S)-1-[(3R)-1-cyclopropylpyrrolidin-3-yl]-3,6-dimethyl-1,5-diazocane (3R,6S)-1-[(3R)-1-cyclopropylpyr…
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) | 1.85 | 7.08 | -81 | 3 | 3 | 2 | 24 | 253.434 | 2 | ↓ |
Hi High (pH 8-9.5) | 1.85 | 4.7 | -32.77 | 2 | 3 | 1 | 23 | 252.426 | 2 | ↓ |
Lo Low (pH 4.5-6) | 1.85 | 8.44 | -192.67 | 4 | 3 | 3 | 25 | 254.442 | 2 | ↓ |