In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 16th, 2009 | 14 | Yes |
Popular Name: (1S)-1-[5-(5-methyl-2-thienyl)-1H-imidazol-2-yl]ethanamine (1S)-1-[5-(5-methyl-2-thienyl)-1…
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) | -0.43 | 3.59 | -53.37 | 4 | 3 | 1 | 56 | 208.31 | 2 | ↓ |
Hi High (pH 8-9.5) | -0.42 | 3.26 | -7.52 | 3 | 3 | 0 | 55 | 207.302 | 2 | ↓ |
Hi High (pH 8-9.5) | -0.43 | 3.2 | -5.54 | 3 | 3 | 0 | 55 | 207.302 | 2 | ↓ |