In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 18th, 2009 | 23 | Yes |
Popular Name: 2-[(pentylamino)methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one 2-[(pentylamino)methyl]-5-phenyl…
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) | 4.07 | 8.9 | -57.99 | 3 | 4 | 1 | 62 | 328.461 | 7 | ↓ |
Hi High (pH 8-9.5) | 4.53 | 7.85 | -45.47 | 2 | 4 | 0 | 65 | 327.453 | 7 | ↓ |