In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 18th, 2009 | 16 | Yes |
Popular Name: (2S)-1-(4-ethylpiperazin-1-yl)-3-(propylamino)propan-2-ol (2S)-1-(4-ethylpiperazin-1-yl)-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) | 0.28 | 2.12 | -83.56 | 4 | 4 | 2 | 45 | 231.384 | 7 | ↓ |
Hi High (pH 8-9.5) | 0.28 | -1.51 | -2.96 | 2 | 4 | 0 | 39 | 229.368 | 7 | ↓ |
Mid Mid (pH 6-8) | 0.28 | -0.15 | -38.79 | 3 | 4 | 1 | 43 | 230.376 | 7 | ↓ |