In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 24th, 2009 | 37 | No |
Popular Name: [4-[4-[(5-chloro-2-methoxy-phenyl)methyl]piperazin-1-yl]-3-nitro-phenyl]BLAHdione [4-[4-[(5-chloro-2-methoxy-pheny…
None
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) | 4.48 | 14.91 | -52.24 | 1 | 9 | 1 | 100 | 523.997 | 6 | ↓ |
Mid Mid (pH 6-8) | 4.48 | 12.66 | -16.25 | 0 | 9 | 0 | 99 | 522.989 | 6 | ↓ |