| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 15th, 2011 | 21 | No |
Popular Name: (1S)-1-[3-chloro-4-(4-nitrophenyl)sulfanyl-phenyl]-N-methyl-ethanamine (1S)-1-[3-chloro-4-(4-nitropheny…
| 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) | 4.59 | 10.31 | -46.54 | 2 | 4 | 1 | 62 | 323.825 | 5 | ↓ |
| Hi High (pH 8-9.5) | 4.59 | 9.14 | -5.08 | 1 | 4 | 0 | 58 | 322.817 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
