In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 30th, 2008 | 27 | Yes |
Popular Name: (4-cyclohexyl-1,4-diazepan-1-yl)-[6-[[(1R)-1-cyclopropylethyl]amino]-3-pyridyl]methanone (4-cyclohexyl-1,4-diazepan-1-yl)…
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) | 3.14 | 11 | -45.92 | 2 | 5 | 1 | 50 | 371.549 | 5 | ↓ |
Hi High (pH 8-9.5) | 3.14 | 9.21 | -7.93 | 1 | 5 | 0 | 48 | 370.541 | 5 | ↓ |