In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 20th, 2009 | 20 | 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) | 3.23 | 2.98 | -53.97 | 3 | 5 | -1 | 93 | 272.28 | 4 | ↓ |
Lo Low (pH 4.5-6) | 3.23 | 1.08 | -9.09 | 4 | 5 | 0 | 90 | 273.288 | 4 | ↓ |