In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 1st, 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) | 3.13 | 13.28 | -14.98 | 0 | 7 | 0 | 78 | 446.58 | 7 | ↓ |
Lo Low (pH 4.5-6) | 3.13 | 15.57 | -62.07 | 1 | 7 | 1 | 79 | 447.588 | 7 | ↓ |