In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 18th, 2009 | 22 | Yes |
Popular Name: 2-[(allylamino)methyl]-3-cyclopropyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-one 2-[(allylamino)methyl]-3-cyclopr…
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) | 2.66 | 9.32 | -54.18 | 2 | 4 | 1 | 52 | 316.45 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.66 | 7.89 | -11.12 | 1 | 4 | 0 | 47 | 315.442 | 5 | ↓ |