In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 2nd, 2009 | 27 | Yes |
Popular Name: 1-ethyl-3-[(1S)-2-(4-ethylpiperazin-1-yl)-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]urea 1-ethyl-3-[(1S)-2-(4-ethylpipera…
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) | 1.68 | 4.62 | -19.65 | 3 | 7 | 0 | 80 | 371.485 | 6 | ↓ |
Mid Mid (pH 6-8) | 1.68 | 6.86 | -56.86 | 4 | 7 | 1 | 82 | 372.493 | 6 | ↓ |