In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 17th, 2007 | 20 | No |
Popular Name: (5R,9S)-7,7,9-trimethyl-3-phenyl-1,3,4-triazaspiro[4.5]dec-1-ene-2-thiol (5R,9S)-7,7,9-trimethyl-3-phenyl…
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) | 4.47 | 9.11 | -10.24 | 2 | 3 | 0 | 27 | 289.448 | 1 | ↓ |
Lo Low (pH 4.5-6) | 4.47 | 9.57 | -46.5 | 3 | 3 | 1 | 32 | 290.456 | 1 | ↓ |