| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 20th, 2011 | 21 | Yes |
Popular Name: N-(2-amino-5-chloro-phenyl)-3-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]propanamide N-(2-amino-5-chloro-phenyl)-3-[(…
| 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) | 1.66 | 4.01 | -40.85 | 4 | 5 | 1 | 63 | 311.837 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.66 | 4 | -45.08 | 4 | 5 | 1 | 63 | 311.837 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.66 | 1.62 | -9.97 | 3 | 5 | 0 | 62 | 310.829 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 1.66 | 6.39 | -113.58 | 5 | 5 | 2 | 64 | 312.845 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
