In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 5th, 2008 | 20 | 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) | 3.50 | 8.31 | -34.28 | 1 | 3 | 1 | 17 | 277.432 | 7 | ↓ |
Mid Mid (pH 6-8) | 3.50 | 8.29 | -36.37 | 1 | 3 | 1 | 17 | 277.432 | 7 | ↓ |
Mid Mid (pH 6-8) | 3.50 | 6.03 | -3.21 | 0 | 3 | 0 | 16 | 276.424 | 7 | ↓ |