In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 1st, 2009 | 14 | 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) | 2.41 | 1.14 | -6.18 | 3 | 4 | 0 | 72 | 319.995 | 2 | ↓ |
Mid Mid (pH 6-8) | 2.41 | 1.23 | -17.13 | 3 | 4 | 0 | 76 | 319.995 | 2 | ↓ |