In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 20th, 2009 | 12 | Yes |
Popular Name: (2S)-1-(ethylamino)-3-[methyl(propyl)amino]propan-2-ol (2S)-1-(ethylamino)-3-[methyl(pr…
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) | 0.39 | 2.62 | -97.34 | 4 | 3 | 2 | 41 | 176.304 | 7 | ↓ |
Hi High (pH 8-9.5) | 0.39 | 1.2 | -33.53 | 3 | 3 | 1 | 37 | 175.296 | 7 | ↓ |
Mid Mid (pH 6-8) | 0.39 | 3.17 | -40.07 | 3 | 3 | 1 | 44 | 175.296 | 7 | ↓ |