In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 18th, 2007 | 30 | Yes |
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) | 2.76 | -4.29 | -18.56 | 3 | 7 | 0 | 96 | 444.944 | 8 | ↓ |
Mid Mid (pH 6-8) | 2.76 | -4.05 | -42.99 | 4 | 7 | 1 | 97 | 445.952 | 8 | ↓ |