In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 18th, 2009 | 28 | 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) | 3.64 | 6.95 | -17.89 | 2 | 7 | 0 | 93 | 416.528 | 7 | ↓ |
Hi High (pH 8-9.5) | 3.82 | 5.88 | -44.09 | 1 | 7 | -1 | 100 | 415.52 | 7 | ↓ |