In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 6th, 2010 | 20 | No |
Popular Name: 3-[(1S)-1-(dimethylaminomethyl)-3-methyl-butyl]-2-sulfanyl-thieno[3,2-d]pyrimidin-4-one 3-[(1S)-1-(dimethylaminomethyl)-…
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) | 2.93 | 8.37 | -29.89 | 1 | 4 | 0 | 45 | 311.476 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.47 | 8.9 | -36.19 | 2 | 4 | 1 | 42 | 312.484 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.