In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 10th, 2009 | 31 | Yes |
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) | 2.69 | 4.51 | -39.36 | 1 | 8 | -1 | 115 | 436.469 | 3 | ↓ |
Lo Low (pH 4.5-6) | 3.15 | 2.15 | -108.88 | 0 | 8 | -2 | 118 | 435.461 | 3 | ↓ |