In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 24th, 2004 | 31 | 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) | 2.85 | 7.95 | -53.6 | 0 | 8 | -1 | 106 | 436.831 | 5 | ↓ |
Lo Low (pH 4.5-6) | 2.39 | 10.38 | -15.91 | 1 | 8 | 0 | 103 | 437.839 | 5 | ↓ |