In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 2nd, 2008 | 27 | No |
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) | 1.03 | 4.16 | -20.78 | 0 | 7 | 0 | 85 | 410.517 | 4 | ↓ |
Lo Low (pH 4.5-6) | 1.03 | 5.3 | -49.26 | 1 | 7 | 1 | 87 | 411.525 | 4 | ↓ |