In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 14th, 2011 | 25 | No |
Popular Name: 4-[2-[(2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)amino]ethyl]thiazol-2-amine 4-[2-[(2-phenyl-5,6,7,8-tetrahyd…
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) | 2.67 | 6.52 | -53.29 | 5 | 6 | 1 | 93 | 353.475 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.67 | 5.16 | -12.24 | 4 | 6 | 0 | 89 | 352.467 | 5 | ↓ |
Lo Low (pH 4.5-6) | 2.67 | 6.94 | -88.56 | 6 | 6 | 2 | 95 | 354.483 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.