| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 7th, 2009 | 20 | No |
Popular Name: N-[(2-chloro-5-nitro-phenyl)methyl]-3-pyrrolidin-1-yl-propan-1-amine N-[(2-chloro-5-nitro-phenyl)meth…
| 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) | 2.77 | 9.67 | -113.12 | 3 | 5 | 2 | 67 | 299.802 | 7 | ↓ |
| Hi High (pH 8-9.5) | 2.77 | 5.84 | -4.73 | 1 | 5 | 0 | 61 | 297.786 | 7 | ↓ |
| Mid Mid (pH 6-8) | 2.77 | 7.23 | -46.61 | 2 | 5 | 1 | 66 | 298.794 | 7 | ↓ |
| Mid Mid (pH 6-8) | 2.77 | 8.3 | -37.08 | 2 | 5 | 1 | 62 | 298.794 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
