In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 20th, 2009 | 32 | 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) | 2.00 | 9.03 | -65.25 | 2 | 8 | 0 | 102 | 434.496 | 7 | ↓ |
Lo Low (pH 4.5-6) | 2.00 | 7.9 | -57.34 | 3 | 8 | 1 | 100 | 435.504 | 7 | ↓ |