In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 25th, 2008 | 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) | 3.50 | 12.64 | -79.99 | 1 | 5 | 0 | 65 | 392.499 | 7 | ↓ |
Lo Low (pH 4.5-6) | 3.50 | 11.69 | -49.97 | 2 | 5 | 1 | 62 | 393.507 | 7 | ↓ |