In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 7th, 2010 | 31 | 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) | 2.06 | 3.07 | -47.24 | 4 | 10 | -1 | 155 | 415.389 | 3 | ↓ |
Hi High (pH 8-9.5) | 2.06 | 3.19 | -51.1 | 4 | 10 | -1 | 155 | 415.389 | 3 | ↓ |
Mid Mid (pH 6-8) | 2.52 | 1.17 | -99.19 | 3 | 10 | -2 | 158 | 414.381 | 3 | ↓ |
Mid Mid (pH 6-8) | 1.60 | 5.08 | -16.36 | 5 | 10 | 0 | 152 | 416.397 | 3 | ↓ |