In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 5th, 2011 | 24 | 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) | 0.46 | 9.7 | -30.28 | 2 | 3 | 1 | 43 | 327.492 | 3 | ↓ |
Mid Mid (pH 6-8) | 0.46 | 9.95 | -116.96 | 3 | 3 | 2 | 45 | 328.5 | 3 | ↓ |