In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 7th, 2006 | 28 | 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) | 2.74 | 9.92 | -11.95 | 0 | 6 | 0 | 76 | 389.436 | 2 | ↓ |
Lo Low (pH 4.5-6) | 2.74 | 10.2 | -37.53 | 1 | 6 | 1 | 78 | 390.444 | 2 | ↓ |