In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 13th, 2008 | 29 | 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) | 2.40 | 5.68 | -15.61 | 3 | 7 | 0 | 103 | 427.383 | 6 | ↓ |
Lo Low (pH 4.5-6) | 2.40 | 5.92 | -42.74 | 4 | 7 | 1 | 104 | 428.391 | 6 | ↓ |