In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 20th, 2011 | 23 | Yes |
Popular Name: (2S)-1-[4-(5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]propan-2-ol (2S)-1-[4-(5,6,7,8-tetrahydroben…
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) | 2.32 | 5.9 | -7.26 | 1 | 5 | 0 | 52 | 332.473 | 3 | ↓ |
Mid Mid (pH 6-8) | 2.32 | 8.18 | -43.79 | 2 | 5 | 1 | 54 | 333.481 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.