In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 16th, 2009 | 19 | No |
Popular Name: (1S)-1-[5-(3-nitrophenyl)-1H-imidazol-2-yl]butan-1-amine (1S)-1-[5-(3-nitrophenyl)-1H-imi…
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) | 0.57 | 5.86 | -62.83 | 4 | 6 | 1 | 102 | 261.305 | 5 | ↓ |
Hi High (pH 8-9.5) | 0.57 | 5.61 | -14.62 | 3 | 6 | 0 | 101 | 260.297 | 5 | ↓ |
Lo Low (pH 4.5-6) | 0.57 | 6.23 | -132.83 | 5 | 6 | 2 | 103 | 262.313 | 5 | ↓ |