| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 14th, 2010 | 23 | No |
Popular Name: (2R)-2-[(4-bromo-2-thienyl)methyl-methyl-amino]-N-(2-nitrophenyl)propanamide (2R)-2-[(4-bromo-2-thienyl)methy…
| 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) | 3.42 | 9.68 | -43.48 | 2 | 6 | 1 | 79 | 399.29 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.42 | 7.43 | -9.05 | 1 | 6 | 0 | 78 | 398.282 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.61 | 8.3 | -31.55 | 1 | 6 | 0 | 86 | 398.282 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
