In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 25th, 2004 | 33 | 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) | 1.42 | 8.76 | -17.31 | 0 | 8 | 0 | 79 | 451.571 | 8 | ↓ |
Mid Mid (pH 6-8) | 1.42 | 11.04 | -54.71 | 1 | 8 | 1 | 80 | 452.579 | 8 | ↓ |