In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 22nd, 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) | 3.32 | 8.77 | -56.64 | 0 | 6 | -1 | 79 | 455.284 | 5 | ↓ |
Lo Low (pH 4.5-6) | 3.32 | 8.02 | -13.21 | 1 | 6 | 0 | 76 | 456.292 | 5 | ↓ |