In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 1st, 2009 | 17 | Yes |
Popular Name: (5R,8R,8aS)-8-methyl-5-pent-4-ynyl-2,3,6,7,8,8a-hexahydro-1H-indolizine-5-carbonitrile (5R,8R,8aS)-8-methyl-5-pent-4-yn…
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) | 2.93 | 7.08 | -7.38 | 0 | 2 | 0 | 27 | 230.355 | 3 | ↓ |
Lo Low (pH 4.5-6) | 2.93 | 9.06 | -42.76 | 1 | 2 | 1 | 28 | 231.363 | 3 | ↓ |