In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 25th, 2004 | 31 | 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) | 3.36 | 11.84 | -14.66 | 1 | 9 | 0 | 100 | 421.457 | 8 | ↓ |
Lo Low (pH 4.5-6) | 3.54 | 11.83 | -35.98 | 2 | 9 | 1 | 105 | 422.465 | 8 | ↓ |