In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 9th, 2008 | 24 | Yes |
Popular Name: (2S)-1-(2-tert-butylphenoxy)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol (2S)-1-(2-tert-butylphenoxy)-3-[…
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) | 2.30 | 1.37 | -8.05 | 2 | 5 | 0 | 56 | 336.476 | 8 | ↓ |
Mid Mid (pH 6-8) | 2.30 | 3.71 | -44.49 | 3 | 5 | 1 | 57 | 337.484 | 8 | ↓ |
Mid Mid (pH 6-8) | 2.30 | 3.77 | -37.42 | 3 | 5 | 1 | 57 | 337.484 | 8 | ↓ |