In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 10th, 2009 | 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) | 6.04 | 10.71 | -10.82 | 0 | 5 | 0 | 56 | 460.386 | 5 | ↓ |
Lo Low (pH 4.5-6) | 6.04 | 11.1 | -32.62 | 1 | 5 | 1 | 58 | 461.394 | 5 | ↓ |