In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 26th, 2010 | 21 | Yes |
Popular Name: 2-[[[(1S)-1-(4-bromophenyl)ethyl]amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one 2-[[[(1S)-1-(4-bromophenyl)ethyl…
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) | 3.63 | 4.59 | -51.07 | 2 | 4 | 0 | 65 | 364.268 | 4 | ↓ |
Hi High (pH 8-9.5) | 3.63 | 3.46 | -47.97 | 1 | 4 | -1 | 61 | 363.26 | 4 | ↓ |
Mid Mid (pH 6-8) | 3.18 | 6.1 | -12.64 | 2 | 4 | 0 | 58 | 364.268 | 4 | ↓ |
Mid Mid (pH 6-8) | 3.18 | 7.21 | -60.24 | 3 | 4 | 1 | 62 | 365.276 | 4 | ↓ |