In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 15th, 2010 | 14 | Yes |
Popular Name: (2R)-N2-isopropyl-3,3-dimethyl-N2-propyl-butane-1,2-diamine (2R)-N2-isopropyl-3,3-dimethyl-N…
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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) | 2.39 | 2.69 | -40.05 | 3 | 2 | 1 | 31 | 201.378 | 6 | ↓ |
Mid Mid (pH 6-8) | 2.39 | 4.62 | -26.04 | 3 | 2 | 1 | 30 | 201.378 | 6 | ↓ |
Mid Mid (pH 6-8) | 2.39 | 5.03 | -110.17 | 4 | 2 | 2 | 32 | 202.386 | 6 | ↓ |