In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 10th, 2007 | 33 | Yes |
Popular Name: imino-methyl-(4-methylpiperazin-1-yl)carbonyl-(3-pyridylmethyl)BLAHone imino-methyl-(4-methylpiperazin-…
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) | -0.36 | -0.19 | -87.89 | 3 | 9 | 2 | 102 | 445.527 | 3 | ↓ |
Lo Low (pH 4.5-6) | -0.36 | -0.08 | -152.78 | 4 | 9 | 3 | 103 | 446.535 | 3 | ↓ |