| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 20th, 2011 | 21 | Yes |
Popular Name: N-[3-(aminomethyl)phenyl]-3-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]propanamide N-[3-(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) | 0.73 | 3.37 | -91.78 | 5 | 5 | 2 | 64 | 292.427 | 6 | ↓ |
| Hi High (pH 8-9.5) | 0.73 | 0.99 | -53.88 | 4 | 5 | 1 | 63 | 291.419 | 6 | ↓ |
| Hi High (pH 8-9.5) | 0.73 | 0.57 | -9.47 | 3 | 5 | 0 | 62 | 290.411 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 0.73 | 5.75 | -174.18 | 6 | 5 | 3 | 66 | 293.435 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
