In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 23rd, 2009 | 20 | Yes |
Popular Name: (1S)-1-[4-(aminomethyl)phenyl]-2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanol (1S)-1-[4-(aminomethyl)phenyl]-2…
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) | -0.40 | -3.23 | -48.44 | 5 | 5 | 1 | 75 | 280.392 | 6 | ↓ |
Hi High (pH 8-9.5) | -0.40 | -3.63 | -6.7 | 4 | 5 | 0 | 73 | 279.384 | 6 | ↓ |
Mid Mid (pH 6-8) | -0.40 | -0.89 | -83.33 | 6 | 5 | 2 | 76 | 281.4 | 6 | ↓ |
Mid Mid (pH 6-8) | -0.40 | -1.01 | -90.4 | 6 | 5 | 2 | 76 | 281.4 | 6 | ↓ |