In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 19th, 2011 | 23 | Yes |
Popular Name: N-{2-[(4-methyl-1-piperazinyl)carbonyl]phenyl}nicotinamide N-{2-[(4-methyl-1-piperazinyl)ca…
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) | 1.03 | 5.6 | -45.9 | 3 | 7 | 1 | 75 | 322.433 | 5 | ↓ |
Lo Low (pH 4.5-6) | 1.03 | 5.91 | -89.38 | 4 | 7 | 2 | 76 | 323.441 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.