In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 13th, 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) | 2.59 | 7.03 | -106.25 | 4 | 2 | 2 | 32 | 214.397 | 7 | ↓ |
Hi High (pH 8-9.5) | 2.59 | 6.65 | -33.06 | 3 | 2 | 1 | 30 | 213.389 | 7 | ↓ |
Mid Mid (pH 6-8) | 2.59 | 4.83 | -41.18 | 3 | 2 | 1 | 31 | 213.389 | 7 | ↓ |