In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 5th, 2006 | 26 | 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) | 5.86 | 12.95 | -96.05 | 4 | 2 | 2 | 33 | 393.402 | 8 | ↓ |
Hi High (pH 8-9.5) | 5.86 | 11.74 | -37.7 | 3 | 2 | 1 | 29 | 392.394 | 8 | ↓ |