In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 28th, 2009 | 23 | No |
Popular Name: 8-[5-[(3S)-dithiolan-3-yl]pentanoyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione 8-[5-[(3S)-dithiolan-3-yl]pentan…
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) | 1.44 | 5.3 | -18.36 | 2 | 6 | 0 | 79 | 357.501 | 5 | ↓ |
Hi High (pH 8-9.5) | 1.62 | 3.51 | -48.27 | 1 | 6 | -1 | 85 | 356.493 | 5 | ↓ |