In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 23rd, 2005 | 31 | 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) | 1.78 | 8.15 | -18.42 | 1 | 7 | 0 | 89 | 415.449 | 6 | ↓ |
Lo Low (pH 4.5-6) | 1.78 | 8.43 | -51.36 | 2 | 7 | 1 | 90 | 416.457 | 6 | ↓ |