In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 30th, 2009 | 27 | No |
Popular Name: 3-(3-chloro-2-methyl-phenyl)-1-(2-morpholinoethyl)-1-(3-pyridylmethyl)thiourea 3-(3-chloro-2-methyl-phenyl)-1-(…
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) | 2.66 | 9.22 | -13.73 | 1 | 5 | 0 | 41 | 404.967 | 8 | ↓ |
Mid Mid (pH 6-8) | 2.66 | 11.49 | -48.7 | 2 | 5 | 1 | 42 | 405.975 | 8 | ↓ |
Lo Low (pH 4.5-6) | 2.66 | 11.96 | -112.86 | 3 | 5 | 2 | 43 | 406.983 | 8 | ↓ |