In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 24th, 2008 | 21 | 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) | 4.01 | 7.31 | -9.31 | 2 | 3 | 0 | 49 | 303.789 | 4 | ↓ |
Mid Mid (pH 6-8) | 4.01 | 7.98 | -41.09 | 1 | 3 | -1 | 52 | 302.781 | 4 | ↓ |