In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 28th, 2010 | 27 | 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) | -1.48 | 3.54 | -55.09 | 3 | 9 | 1 | 101 | 384.501 | 7 | ↓ |
Hi High (pH 8-9.5) | -1.48 | 1.79 | -22.16 | 2 | 9 | 0 | 99 | 383.493 | 7 | ↓ |