In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 22nd, 2009 | 20 | Yes |
Popular Name: (3S)-1-[(1S)-1-(1-adamantyl)ethyl]-N-ethyl-pyrrolidin-3-amine (3S)-1-[(1S)-1-(1-adamantyl)ethy…
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) | 3.89 | 8.12 | -33.14 | 2 | 2 | 1 | 16 | 277.476 | 4 | ↓ |
Hi High (pH 8-9.5) | 3.89 | 6.43 | -0.13 | 1 | 2 | 0 | 15 | 276.468 | 4 | ↓ |
Lo Low (pH 4.5-6) | 3.89 | 9.3 | -114.49 | 3 | 2 | 2 | 21 | 278.484 | 4 | ↓ |
Lo Low (pH 4.5-6) | 3.89 | 7.61 | -37.53 | 2 | 2 | 1 | 20 | 277.476 | 4 | ↓ |