In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 20th, 2011 | 27 | 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) | 0.59 | 3.53 | -16.58 | 2 | 9 | 0 | 108 | 379.461 | 8 | ↓ |
Lo Low (pH 4.5-6) | 0.59 | 5.68 | -58.86 | 3 | 9 | 1 | 109 | 380.469 | 8 | ↓ |