| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 20th, 2011 | 21 | Yes |
Popular Name: N-[2-(aminomethyl)phenyl]-3-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]propanamide N-[2-(aminomethyl)phenyl]-3-[(3S…
| 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) | 0.70 | 3.59 | -95.29 | 5 | 5 | 2 | 64 | 292.427 | 6 | ↓ |
| Hi High (pH 8-9.5) | 0.70 | 3.58 | -110.82 | 5 | 5 | 2 | 64 | 292.427 | 6 | ↓ |
| Hi High (pH 8-9.5) | 0.70 | 1.21 | -53.36 | 4 | 5 | 1 | 63 | 291.419 | 6 | ↓ |
| Hi High (pH 8-9.5) | 0.70 | 0.84 | -7.99 | 3 | 5 | 0 | 62 | 290.411 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 0.70 | 5.97 | -190.23 | 6 | 5 | 3 | 66 | 293.435 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
