In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 18th, 2008 | 15 | Yes |
Popular Name: 2-[[(1R)-2-amino-1-(o-tolyl)ethyl]-methyl-amino]ethanol 2-[[(1R)-2-amino-1-(o-tolyl)ethy…
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) | 0.50 | 0.64 | -46.8 | 4 | 3 | 1 | 51 | 209.313 | 5 | ↓ |
Hi High (pH 8-9.5) | 0.50 | 2.73 | -28.4 | 4 | 3 | 1 | 51 | 209.313 | 5 | ↓ |
Mid Mid (pH 6-8) | 0.50 | 2.6 | -120.69 | 5 | 3 | 2 | 52 | 210.321 | 5 | ↓ |