In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 28th, 2009 | 15 | 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) | 2.70 | 7.36 | -101.59 | 3 | 2 | 2 | 21 | 214.397 | 6 | ↓ |
Mid Mid (pH 6-8) | 2.70 | 5.3 | -38.08 | 2 | 2 | 1 | 20 | 213.389 | 6 | ↓ |
Mid Mid (pH 6-8) | 2.70 | 6.01 | -31.75 | 2 | 2 | 1 | 16 | 213.389 | 6 | ↓ |