In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 30th, 2007 | 33 | No |
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) | 3.18 | 1.6 | -51.86 | 2 | 9 | 1 | 121 | 450.471 | 8 | ↓ |
Mid Mid (pH 6-8) | 2.59 | 1.42 | -58.15 | 1 | 9 | 1 | 117 | 450.471 | 8 | ↓ |