In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 20th, 2009 | 15 | Yes |
Popular Name: (1S)-1-(4-bromo-2-thienyl)-N-ethyl-N-isopropyl-ethane-1,2-diamine (1S)-1-(4-bromo-2-thienyl)-N-eth…
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) | 2.41 | 3.93 | -45.02 | 3 | 2 | 1 | 31 | 292.266 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.41 | 3.72 | -1.3 | 2 | 2 | 0 | 29 | 291.258 | 5 | ↓ |