| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 7th, 2009 | 21 | No |
Popular Name: N-[(2-chloro-5-nitro-phenyl)methyl]-3-(1-piperidyl)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) | 3.27 | 10.38 | -114.88 | 3 | 5 | 2 | 67 | 313.829 | 7 | ↓ |
| Hi High (pH 8-9.5) | 3.27 | 6.78 | -4.6 | 1 | 5 | 0 | 61 | 311.813 | 7 | ↓ |
| Mid Mid (pH 6-8) | 3.27 | 9 | -37.5 | 2 | 5 | 1 | 62 | 312.821 | 7 | ↓ |
| Mid Mid (pH 6-8) | 3.27 | 8.16 | -47.15 | 2 | 5 | 1 | 66 | 312.821 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
