In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 12th, 2011 | 21 | Yes |
Popular Name: 4-chloro-5,6-dimethyl-2-[2-(1-piperidyl)ethylsulfanyl]thieno[2,3-d]pyrimidine 4-chloro-5,6-dimethyl-2-[2-(1-pi…
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) | 5.11 | 9.93 | -38.25 | 1 | 3 | 1 | 30 | 342.941 | 4 | ↓ |
Hi High (pH 8-9.5) | 5.11 | 7.71 | -6.18 | 0 | 3 | 0 | 29 | 341.933 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.