In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 20th, 2010 | 21 | 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) | 1.73 | 3.33 | -38.19 | 2 | 5 | 1 | 48 | 299.435 | 3 | ↓ |
Lo Low (pH 4.5-6) | 1.73 | 5.36 | -109.62 | 3 | 5 | 2 | 49 | 300.443 | 3 | ↓ |