In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 8th, 2009 | 30 | 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) | 1.50 | 6.2 | -17.81 | 1 | 8 | 0 | 80 | 431.924 | 7 | ↓ |
Mid Mid (pH 6-8) | 1.50 | 8.47 | -54.18 | 2 | 8 | 1 | 81 | 432.932 | 7 | ↓ |