In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 11th, 2010 | 20 | No |
Popular Name: 4-chloro-6-[4-[(1S)-1-methylpropyl]piperazin-1-yl]-5-nitro-pyrimidine 4-chloro-6-[4-[(1S)-1-methylprop…
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) | 2.25 | 8.85 | -37.31 | 1 | 7 | 1 | 79 | 300.77 | 4 | ↓ |
Hi High (pH 8-9.5) | 2.25 | 7.01 | -4.49 | 0 | 7 | 0 | 78 | 299.762 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.