In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 20th, 2009 | 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) | 2.40 | 7.9 | -31.57 | 1 | 7 | 0 | 84 | 372.45 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.58 | 6.83 | -64.56 | 0 | 7 | -1 | 91 | 371.442 | 5 | ↓ |