In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 10th, 2011 | 25 | Yes |
Popular Name: (3S)-4-[6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]-3-methyl-piperazin-2-one (3S)-4-[6-(diethylaminomethyl)py…
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) | -0.70 | 5.11 | -56.62 | 2 | 8 | 1 | 84 | 345.427 | 5 | ↓ |
Mid Mid (pH 6-8) | -0.70 | 3.02 | -16.85 | 1 | 8 | 0 | 83 | 344.419 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.