| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 11th, 2009 | 17 | Yes |
Popular Name: (1S)-1-(5-bromo-2-thienyl)-N-methyl-N-(3-thienylmethyl)ethane-1,2-diamine (1S)-1-(5-bromo-2-thienyl)-N-met…
| 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) | 2.55 | 5.1 | -46.07 | 3 | 2 | 1 | 31 | 332.312 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.55 | 4.3 | -3.39 | 2 | 2 | 0 | 29 | 331.304 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.55 | 5.98 | -34.68 | 3 | 2 | 1 | 30 | 332.312 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.55 | 6.69 | -130.08 | 4 | 2 | 2 | 32 | 333.32 | 5 | ↓ |
