| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 28th, 2005 | 35 | Yes |
Popular Name: COc1ccc2c(c1)c(ccn2)[C@H](CN3CCC(CC3)NC(=O)c4ccc5c(n4)NC(=O)CS5)O COc1ccc2c(c1)c(ccn2)[C@H](CN3CCC…
| 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) | 1.23 | -6.63 | -52.86 | 4 | 9 | 1 | 117 | 494.597 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 1.23 | -6.54 | -104.43 | 5 | 9 | 2 | 119 | 495.605 | 6 | ↓ |
