In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 21st, 2010 | 16 | Yes |
Popular Name: (3S,4S)-N3,N4-dimethyl-N3-[(1R)-1,2,2-trimethylpropyl]tetrahydropyran-3,4-diamine (3S,4S)-N3,N4-dimethyl-N3-[(1R)-…
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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) | 2.25 | 4.97 | -108.6 | 3 | 3 | 2 | 30 | 230.396 | 4 | ↓ |
Hi High (pH 8-9.5) | 2.25 | 3.1 | -0.86 | 1 | 3 | 0 | 24 | 228.38 | 4 | ↓ |
Mid Mid (pH 6-8) | 2.25 | 4.02 | -30.99 | 2 | 3 | 1 | 26 | 229.388 | 4 | ↓ |