| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 25th, 2012 | 17 | No |
Popular Name: (2S)-2-[(4-hydroxy-3-nitro-phenyl)methylamino]propanamide (2S)-2-[(4-hydroxy-3-nitro-pheny…
None
None
| 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) | 0.79 | -0.49 | -14.73 | 4 | 7 | 0 | 121 | 239.231 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.79 | 0.5 | -52.16 | 3 | 7 | -1 | 124 | 238.223 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 0.79 | 0.77 | -57.78 | 5 | 7 | 1 | 126 | 240.239 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.