In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 22nd, 2009 | 19 | Yes |
Popular Name: 2-[(6-amino-3-pyridyl)sulfanylmethyl]-3H-thieno[3,2-d]pyrimidin-4-one 2-[(6-amino-3-pyridyl)sulfanylme…
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) | 1.63 | 3.86 | -14.68 | 3 | 5 | 0 | 85 | 290.373 | 3 | ↓ |
Mid Mid (pH 6-8) | 2.09 | 1.36 | -51.69 | 2 | 5 | -1 | 88 | 289.365 | 3 | ↓ |
Lo Low (pH 4.5-6) | 1.63 | 4.33 | -45.47 | 4 | 5 | 1 | 86 | 291.381 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.