In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 22nd, 2010 | 22 | Yes |
Popular Name: 2-(dimethylamino)-N-[(3S)-2-oxoazepan-3-yl]thieno[2,3-d]thiazole-5-carboxamide 2-(dimethylamino)-N-[(3S)-2-oxoa…
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) | 1.79 | 3.72 | -16.7 | 2 | 6 | 0 | 74 | 338.458 | 3 | ↓ |
Lo Low (pH 4.5-6) | 1.79 | 4.06 | -35.49 | 3 | 6 | 1 | 76 | 339.466 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.