In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 18th, 2009 | 16 | Yes |
Popular Name: 1-(3-Isopropyl-[1,2,4]oxadiazol-5-ylmethyl)-[1,4]diazepane 1-(3-Isopropyl-[1,2,4]oxadiazol-…
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) | 0.45 | 2.25 | -36.86 | 2 | 5 | 1 | 55 | 225.316 | 3 | ↓ |
Lo Low (pH 4.5-6) | 0.45 | 3.08 | -119.81 | 3 | 5 | 2 | 60 | 226.324 | 3 | ↓ |