In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 22nd, 2009 | 32 | 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) | -0.40 | 3.97 | -20.2 | 0 | 10 | 0 | 90 | 451.52 | 8 | ↓ |
Lo Low (pH 4.5-6) | -0.40 | 6.23 | -59.22 | 1 | 10 | 1 | 91 | 452.528 | 8 | ↓ |