| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 10th, 2011 | 23 | Yes |
Popular Name: (3S)-4-(cyclopropylmethyl)-3-isopropyl-1-(2-pyrrolidin-1-ylacetyl)-1,4-diazepan-5-one (3S)-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) | 1.56 | 10.23 | -45.05 | 1 | 5 | 1 | 45 | 322.473 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.56 | 7.86 | -9.89 | 0 | 5 | 0 | 44 | 321.465 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
