In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 16th, 2009 | 18 | Yes |
Popular Name: 4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]benzonitrile 4-[2-[(2S)-pyrrolidin-2-yl]-1H-i…
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) | 1.60 | 6.14 | -43.34 | 3 | 4 | 1 | 69 | 239.302 | 2 | ↓ |
Hi High (pH 8-9.5) | 1.60 | 4.96 | -8.75 | 2 | 4 | 0 | 65 | 238.294 | 2 | ↓ |
Lo Low (pH 4.5-6) | 1.60 | 6.55 | -120.39 | 4 | 4 | 2 | 70 | 240.31 | 2 | ↓ |