In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 11th, 2010 | 32 | Yes |
Popular Name: 1-(2-amino-6-anilino-pyrimidin-4-yl)-N-(3-carbamoylphenyl)piperidine-4-carboxamide 1-(2-amino-6-anilino-pyrimidin-4…
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) | 2.75 | 8.24 | -26.73 | 6 | 9 | 0 | 139 | 431.5 | 6 | ↓ |
Mid Mid (pH 6-8) | 2.75 | 8.6 | -48.12 | 7 | 9 | 1 | 141 | 432.508 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.