| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 22nd, 2009 | 16 | Yes |
Popular Name: (1S)-1-(5-bromo-2-thienyl)-N-methyl-N-[(2R)-2-methylbutyl]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) | 3.19 | 5.23 | -45.73 | 3 | 2 | 1 | 31 | 306.293 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.19 | 4.92 | -1.34 | 2 | 2 | 0 | 29 | 305.285 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 3.19 | 6.95 | -121.84 | 4 | 2 | 2 | 32 | 307.301 | 6 | ↓ |
