In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 30th, 2009 | 27 | No |
Popular Name: 3-(2,5-dimethylphenyl)-1-(2-morpholinoethyl)-1-(3-pyridylmethyl)thiourea 3-(2,5-dimethylphenyl)-1-(2-morp…
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) | 2.46 | 9.45 | -14.83 | 1 | 5 | 0 | 41 | 384.549 | 8 | ↓ |
Mid Mid (pH 6-8) | 2.46 | 11.72 | -48.18 | 2 | 5 | 1 | 42 | 385.557 | 8 | ↓ |
Lo Low (pH 4.5-6) | 2.46 | 12.19 | -111.14 | 3 | 5 | 2 | 43 | 386.565 | 8 | ↓ |