In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 20th, 2010 | 26 | No |
Popular Name: 6-(3-nitrophenyl)-N-(3-pyridylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine 6-(3-nitrophenyl)-N-(3-pyridylme…
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) | 2.30 | 9.84 | -15.03 | 2 | 8 | 0 | 112 | 346.35 | 5 | ↓ |
Lo Low (pH 4.5-6) | 2.30 | 10.3 | -51.8 | 3 | 8 | 1 | 114 | 347.358 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.