| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 28th, 2011 | 20 | Yes |
Popular Name: (2S)-1-[[(1S)-2-(4-fluorophenyl)-1-methyl-ethyl]amino]-3-pyrrolidin-1-yl-propan-2-ol (2S)-1-[[(1S)-2-(4-fluorophenyl)…
| 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) | 2.18 | 6.76 | -105.23 | 4 | 3 | 2 | 41 | 282.403 | 7 | ↓ |
| Mid Mid (pH 6-8) | 2.18 | 7.29 | -45.02 | 3 | 3 | 1 | 44 | 281.395 | 7 | ↓ |
| Mid Mid (pH 6-8) | 2.18 | 4.22 | -42.21 | 3 | 3 | 1 | 40 | 281.395 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
