In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 1st, 2009 | 17 | Yes |
Popular Name: [3-fluoro-4-(4-methyl-1,4-diazepan-1-yl)phenyl]methanol [3-fluoro-4-(4-methyl-1,4-diazep…
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) | 1.63 | 5.63 | -39.05 | 2 | 3 | 1 | 28 | 239.314 | 2 | ↓ |
Hi High (pH 8-9.5) | 1.63 | 3.61 | -5.15 | 1 | 3 | 0 | 27 | 238.306 | 2 | ↓ |