In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 31st, 2005 | 31 | Yes |
Popular Name: c1ccc(cc1)CCN2c3c(c4c(s3)CNCC4)C(=N[C@@H](C2=O)O)c5ccccc5Cl c1ccc(cc1)CCN2c3c(c4c(s3)CNCC4)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) | 3.39 | -7.5 | -57.32 | 3 | 5 | 1 | 69 | 452.987 | 4 | ↓ |