In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 1st, 2011 | 22 | Yes |
Popular Name: 4-methyl-1-[2-[(3S)-3-[(sulfamoylamino)methyl]-1-piperidyl]acetyl]piperidine 4-methyl-1-[2-[(3S)-3-[(sulfamoy…
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) | 0.16 | 1.78 | -51.85 | 4 | 7 | 1 | 97 | 333.478 | 5 | ↓ |
Hi High (pH 8-9.5) | 0.16 | -0.39 | -17.24 | 3 | 7 | 0 | 96 | 332.47 | 5 | ↓ |
Hi High (pH 8-9.5) | 0.16 | 1.42 | -48.6 | 3 | 7 | 0 | 99 | 332.47 | 5 | ↓ |
Hi High (pH 8-9.5) | 0.16 | -0.76 | -43.66 | 2 | 7 | -1 | 98 | 331.462 | 5 | ↓ |