In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 24th, 2004 | 20 | No |
Popular Name: 1-(5-bromo-2-pyridyl)-3-[2-(3-chlorophenyl)ethyl]thiourea 1-(5-bromo-2-pyridyl)-3-[2-(3-ch…
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) | 4.52 | -2.78 | -15.92 | 2 | 3 | 0 | 36 | 370.703 | 6 | ↓ |
Lo Low (pH 4.5-6) | 4.52 | -2.72 | -33.8 | 3 | 3 | 1 | 38 | 371.711 | 6 | ↓ |