In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 2nd, 2009 | 20 | Yes |
Popular Name: [(3S)-1-(2-piperazin-1-ylacetyl)-3-piperidyl]methylurea [(3S)-1-(2-piperazin-1-ylacetyl)…
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) | -1.18 | -1.33 | -48.54 | 5 | 7 | 1 | 95 | 284.384 | 4 | ↓ |
Hi High (pH 8-9.5) | -1.18 | -2.7 | -13.01 | 4 | 7 | 0 | 91 | 283.376 | 4 | ↓ |