In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 12th, 2010 | 24 | No |
Popular Name: (4-ethylpiperazin-1-yl)-[3-[(4-methyl-1,2,5-thiadiazol-3-yl)methoxy]phenyl]methanone (4-ethylpiperazin-1-yl)-[3-[(4-m…
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) | 1.85 | 6.41 | -48.15 | 1 | 6 | 1 | 60 | 347.464 | 5 | ↓ |
Mid Mid (pH 6-8) | 1.85 | 4.2 | -13.67 | 0 | 6 | 0 | 59 | 346.456 | 5 | ↓ |