In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 26th, 2011 | 38 | 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) | 2.58 | 12.76 | -43.19 | 0 | 9 | -1 | 122 | 524.59 | 9 | ↓ |
Mid Mid (pH 6-8) | 2.58 | 12.01 | -13.67 | 1 | 9 | 0 | 119 | 525.598 | 9 | ↓ |