In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 16th, 2010 | 37 | 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) | 6.13 | 17.64 | -57.17 | 1 | 6 | 1 | 52 | 505.727 | 11 | ↓ |
Lo Low (pH 4.5-6) | 6.13 | 18.16 | -100.81 | 2 | 6 | 2 | 53 | 506.735 | 11 | ↓ |