In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 26th, 2009 | 15 | Yes |
Popular Name: (3S,4S)-N3-methyl-N3-tetrahydropyran-4-yl-tetrahydropyran-3,4-diamine (3S,4S)-N3-methyl-N3-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) | -0.32 | 0.11 | -43.5 | 3 | 4 | 1 | 49 | 215.317 | 2 | ↓ |
Hi High (pH 8-9.5) | -0.32 | -0.55 | -2.89 | 2 | 4 | 0 | 48 | 214.309 | 2 | ↓ |
Mid Mid (pH 6-8) | -0.32 | 1.3 | -118.63 | 4 | 4 | 2 | 51 | 216.325 | 2 | ↓ |