In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 30th, 2011 | 24 | 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) | 1.32 | 8.81 | -35.73 | 1 | 6 | 1 | 48 | 343.536 | 12 | ↓ |
Hi High (pH 8-9.5) | 1.32 | 6.76 | -15.02 | 0 | 6 | 0 | 47 | 342.528 | 12 | ↓ |