In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 16th, 2009 | 17 | 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) | 1.67 | 6.52 | -127.12 | 4 | 3 | 2 | 35 | 235.375 | 4 | ↓ |
Hi High (pH 8-9.5) | 1.67 | 4.25 | -2.31 | 2 | 3 | 0 | 32 | 233.359 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.67 | 4.64 | -41.76 | 3 | 3 | 1 | 34 | 234.367 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.67 | 6.2 | -37.98 | 3 | 3 | 1 | 34 | 234.367 | 4 | ↓ |