In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 7th, 2008 | 30 | 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) | 4.04 | 7.09 | -18.28 | 1 | 6 | 0 | 64 | 423.538 | 7 | ↓ |
Lo Low (pH 4.5-6) | 4.04 | 9.53 | -52.51 | 2 | 6 | 1 | 65 | 424.546 | 7 | ↓ |