In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 3rd, 2004 | 29 | No |
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) | 4.72 | 11.92 | -47.7 | 0 | 6 | -1 | 62 | 417.461 | 7 | ↓ |
Lo Low (pH 4.5-6) | 3.99 | 12.08 | -16.14 | 1 | 6 | 0 | 64 | 418.469 | 7 | ↓ |