| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 11th, 2010 | 21 | Yes |
Popular Name: (1S,2S)-1-(4-bromo-2-thienyl)-N1-[(4-fluorophenyl)methyl]-N1-methyl-butane-1,2-diamine (1S,2S)-1-(4-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) | 3.87 | 8.98 | -38.95 | 3 | 2 | 1 | 30 | 372.327 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.87 | 6.7 | -2.95 | 2 | 2 | 0 | 29 | 371.319 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.87 | 7.02 | -47.1 | 3 | 2 | 1 | 31 | 372.327 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.87 | 9.38 | -127 | 4 | 2 | 2 | 32 | 373.335 | 6 | ↓ |
