In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 24th, 2007 | 32 | 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) | 3.00 | 8.78 | -78.79 | 2 | 7 | 0 | 94 | 438.524 | 9 | ↓ |
Mid Mid (pH 6-8) | 3.44 | 8.91 | -51.49 | 3 | 7 | 1 | 92 | 439.532 | 8 | ↓ |
Mid Mid (pH 6-8) | 2.41 | -0.42 | -48.39 | 2 | 7 | 1 | 88 | 439.532 | 9 | ↓ |