| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 10th, 2010 | 21 | Yes |
Popular Name: (1R,2S)-1-(5-bromo-2-thienyl)-N1-[(4-fluorophenyl)methyl]-N1-methyl-butane-1,2-diamine (1R,2S)-1-(5-bromo-2-thienyl)-N1…
| 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) | 4.06 | 8.99 | -41.44 | 3 | 2 | 1 | 30 | 372.327 | 6 | ↓ |
| Hi High (pH 8-9.5) | 4.06 | 7.3 | -4.57 | 2 | 2 | 0 | 29 | 371.319 | 6 | ↓ |
| Mid Mid (pH 6-8) | 4.06 | 7.57 | -52.01 | 3 | 2 | 1 | 31 | 372.327 | 6 | ↓ |
| Mid Mid (pH 6-8) | 4.06 | 9.31 | -134.35 | 4 | 2 | 2 | 32 | 373.335 | 6 | ↓ |
