| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2008 | 19 | Yes |
Popular Name: (2S)-4-phenyl-N-(3-pyrrolidin-1-ylpropyl)butan-2-amine (2S)-4-phenyl-N-(3-pyrrolidin-1-…
| 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) | 3.45 | 10.62 | -109.12 | 3 | 2 | 2 | 21 | 262.441 | 8 | ↓ |
| Hi High (pH 8-9.5) | 3.45 | 9.32 | -34.79 | 2 | 2 | 1 | 16 | 261.433 | 8 | ↓ |
| Mid Mid (pH 6-8) | 3.45 | 8.09 | -42.02 | 2 | 2 | 1 | 20 | 261.433 | 8 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
