In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 2nd, 2009 | 19 | Yes |
Popular Name: [(3S)-1-[(2R)-piperidine-2-carbonyl]-3-piperidyl]methylurea [(3S)-1-[(2R)-piperidine-2-carbo…
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) | 0.18 | 0.88 | -45.12 | 5 | 6 | 1 | 92 | 269.369 | 3 | ↓ |
Hi High (pH 8-9.5) | 0.18 | -0.37 | -15.19 | 4 | 6 | 0 | 87 | 268.361 | 3 | ↓ |