In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 19th, 2011 | 23 | Yes |
Popular Name: 6-methyl-4-[4-(2-thienylmethyl)piperazin-1-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine 6-methyl-4-[4-(2-thienylmethyl)p…
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) | 1.66 | 8.89 | -43.24 | 1 | 5 | 1 | 37 | 330.481 | 3 | ↓ |
Hi High (pH 8-9.5) | 1.66 | 6.48 | -5.99 | 0 | 5 | 0 | 35 | 329.473 | 3 | ↓ |
Lo Low (pH 4.5-6) | 1.66 | 11.12 | -98.36 | 2 | 5 | 2 | 38 | 331.489 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.