In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 28th, 2005 | 35 | Yes |
Popular Name: CCCSc1nc(c2c(n1)n(nn2)[C@@H]3C[C@@H]([C@H]([C@H]3O)O)C(=O)NCC)N[C@H]4C[C@@H]4c5ccccc5 CCCSc1nc(c2c(n1)n(nn2)[C@@H]3C[C…
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) | 2.47 | -8.06 | -15.02 | 4 | 10 | 0 | 138 | 497.625 | 9 | ↓ |