In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 5th, 2010 | 12 | Yes |
Popular Name: N-[[(2S)-tetrahydropyran-2-yl]methyl]propane-1,3-diamine N-[[(2S)-tetrahydropyran-2-yl]me…
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) | -0.30 | 1.54 | -104.51 | 5 | 3 | 2 | 53 | 174.288 | 5 | ↓ |
Hi High (pH 8-9.5) | -0.30 | 1.16 | -35.74 | 4 | 3 | 1 | 52 | 173.28 | 5 | ↓ |
Mid Mid (pH 6-8) | -0.30 | 0.19 | -40.82 | 4 | 3 | 1 | 49 | 173.28 | 5 | ↓ |