In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 3rd, 2005 | 35 | 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) | 1.10 | 7.19 | -23.89 | 1 | 9 | 0 | 99 | 477.517 | 7 | ↓ |
Lo Low (pH 4.5-6) | 1.11 | 7.71 | -59.99 | 2 | 9 | 1 | 100 | 478.525 | 7 | ↓ |