In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 16th, 2007 | 37 | 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) | 4.05 | 11.83 | -77.05 | 1 | 8 | 0 | 93 | 510.631 | 12 | ↓ |
Mid Mid (pH 6-8) | 3.47 | 12.68 | -49.46 | 1 | 8 | 1 | 87 | 511.639 | 12 | ↓ |