| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 21st, 2011 | 17 | Yes |
Popular Name: (3S)-1-[(3S,4S)-4-aminotetrahydropyran-3-yl]-N,N-diethyl-pyrrolidin-3-amine (3S)-1-[(3S,4S)-4-aminotetrahydr…
| 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) | 0.21 | 2.12 | -33.7 | 3 | 4 | 1 | 43 | 242.387 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.21 | -0.03 | -1.58 | 2 | 4 | 0 | 42 | 241.379 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.21 | 0.31 | -43.51 | 3 | 4 | 1 | 43 | 242.387 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.21 | 2.41 | -102.73 | 4 | 4 | 2 | 45 | 243.395 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
