In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 20th, 2010 | 29 | 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) | 0.97 | 9.52 | -70.5 | 1 | 7 | 0 | 91 | 393.443 | 7 | ↓ |
Lo Low (pH 4.5-6) | 0.97 | 8.63 | -50 | 2 | 7 | 1 | 88 | 394.451 | 7 | ↓ |