| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 2nd, 2009 | 18 | Yes |
Popular Name: [(3S)-1-[(2R)-2-amino-3-methyl-butanoyl]-3-piperidyl]methylurea [(3S)-1-[(2R)-2-amino-3-methyl-b…
| 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) | -0.52 | -0.73 | -49.65 | 6 | 6 | 1 | 103 | 257.358 | 4 | ↓ |
| Hi High (pH 8-9.5) | -0.52 | -1.06 | -14.83 | 5 | 6 | 0 | 101 | 256.35 | 4 | ↓ |
