In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 7th, 2007 | 32 | 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) | 3.00 | 9.22 | -52.8 | 0 | 9 | -1 | 125 | 439.444 | 9 | ↓ |
Mid Mid (pH 6-8) | 2.42 | 9.22 | -21.08 | 0 | 9 | 0 | 119 | 440.452 | 9 | ↓ |