In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 29th, 2009 | 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) | 4.80 | 12.08 | -17.2 | 2 | 5 | 0 | 75 | 361.445 | 5 | ↓ |
Hi High (pH 8-9.5) | 5.26 | 10.33 | -66.8 | 1 | 5 | -1 | 78 | 360.437 | 5 | ↓ |