In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 26th, 2009 | 19 | Yes |
Popular Name: (7S,8S)-N7-methyl-N7-tetrahydropyran-4-yl-1,4-dioxaspiro[4.5]decane-7,8-diamine (7S,8S)-N7-methyl-N7-tetrahydrop…
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) | 0.12 | 2.71 | -120.94 | 4 | 5 | 2 | 60 | 272.389 | 2 | ↓ |
Hi High (pH 8-9.5) | 0.12 | 0.33 | -4.4 | 2 | 5 | 0 | 57 | 270.373 | 2 | ↓ |
Mid Mid (pH 6-8) | 0.12 | 0.54 | -46.32 | 3 | 5 | 1 | 59 | 271.381 | 2 | ↓ |
Lo Low (pH 4.5-6) | 0.12 | 2.64 | -33.88 | 3 | 5 | 1 | 58 | 271.381 | 2 | ↓ |