In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 12th, 2008 | 29 | 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) | 5.12 | 13.74 | -89.48 | 2 | 3 | 2 | 12 | 397.651 | 5 | ↓ |
Hi High (pH 8-9.5) | 5.12 | 13.6 | -40.76 | 1 | 3 | 1 | 11 | 396.643 | 5 | ↓ |