In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 7th, 2006 | 28 | 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) | 2.83 | 8.1 | -57.5 | 0 | 6 | -1 | 87 | 380.351 | 5 | ↓ |
Mid Mid (pH 6-8) | 3.28 | 2.36 | -18.67 | 1 | 6 | 0 | 83 | 381.359 | 4 | ↓ |