In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 14th, 2008 | 19 | Yes |
Popular Name: 4-[(1S)-1-[(2,3-dimethylphenyl)amino]ethyl]benzene-1,3-diol 4-[(1S)-1-[(2,3-dimethylphenyl)a…
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) | 3.99 | 3.62 | -11.42 | 3 | 3 | 0 | 52 | 257.333 | 3 | ↓ |
Hi High (pH 8-9.5) | 3.99 | 4.4 | -46.63 | 2 | 3 | -1 | 55 | 256.325 | 3 | ↓ |