In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 18th, 2007 | 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) | 4.76 | 14.09 | -78.57 | 1 | 7 | 0 | 83 | 514.622 | 11 | ↓ |
Mid Mid (pH 6-8) | 5.21 | 14.17 | -50.16 | 2 | 7 | 1 | 81 | 515.63 | 10 | ↓ |