In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 12th, 2008 | 20 | Yes |
Popular Name: (11R)-10-hydroxy-8-(1-piperidyl)-7,9-diazaspiro[5.5]undeca-7,9-diene-11-carbonitrile (11R)-10-hydroxy-8-(1-piperidyl)…
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) | 2.26 | 7.65 | -14.3 | 1 | 5 | 0 | 68 | 274.368 | 1 | ↓ |
Hi High (pH 8-9.5) | 2.26 | 7.06 | -37.18 | 0 | 5 | -1 | 71 | 273.36 | 1 | ↓ |
Mid Mid (pH 6-8) | 2.44 | 6.6 | -42.08 | 2 | 5 | 1 | 74 | 275.376 | 1 | ↓ |