In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 25th, 2004 | 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) | 1.32 | -5.09 | -15.27 | 3 | 9 | 0 | 114 | 393.831 | 7 | ↓ |
Mid Mid (pH 6-8) | 1.32 | -4.85 | -44.65 | 4 | 9 | 1 | 115 | 394.839 | 7 | ↓ |