| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 12th, 2011 | 22 | Yes |
Popular Name: (3R)-4-(cyclopropylmethyl)-3-isopropyl-1-(2-methylpyrimidin-4-yl)-1,4-diazepan-5-one (3R)-4-(cyclopropylmethyl)-3-iso…
| 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) | 1.79 | 9.19 | -10.18 | 0 | 5 | 0 | 49 | 302.422 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.79 | 9.64 | -40.62 | 1 | 5 | 1 | 51 | 303.43 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
