In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 16th, 2009 | 21 | Yes |
Popular Name: (2S)-2-[5-(4-tert-butylphenyl)-1H-imidazol-2-yl]piperidine (2S)-2-[5-(4-tert-butylphenyl)-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) | 4.06 | 8.75 | -36.14 | 3 | 3 | 1 | 45 | 284.427 | 3 | ↓ |
Hi High (pH 8-9.5) | 4.06 | 7.72 | -7.17 | 2 | 3 | 0 | 41 | 283.419 | 3 | ↓ |
Lo Low (pH 4.5-6) | 4.06 | 9.23 | -109.02 | 4 | 3 | 2 | 47 | 285.435 | 3 | ↓ |