In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 25th, 2006 | 26 | 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) | 4.04 | -3.65 | -13.8 | 2 | 5 | 0 | 75 | 366.442 | 5 | ↓ |
Hi High (pH 8-9.5) | 4.04 | -3.07 | -43.26 | 1 | 5 | -1 | 77 | 365.434 | 5 | ↓ |