In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 2nd, 2007 | 29 | Yes |
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) | 4.31 | -4.51 | -14.95 | 1 | 6 | 0 | 79 | 431.583 | 5 | ↓ |
Lo Low (pH 4.5-6) | 4.31 | -4.47 | -41.33 | 2 | 6 | 1 | 80 | 432.591 | 5 | ↓ |