In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 20th, 2009 | 20 | Yes |
Popular Name: 1-[4-[(2R)-2-[4-(aminomethyl)phenyl]-2-hydroxy-ethyl]piperazin-1-yl]ethanone 1-[4-[(2R)-2-[4-(aminomethyl)phe…
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) | -0.41 | 0.73 | -52.89 | 4 | 5 | 1 | 71 | 278.376 | 4 | ↓ |
Lo Low (pH 4.5-6) | -0.41 | 2.97 | -100.81 | 5 | 5 | 2 | 73 | 279.384 | 4 | ↓ |