In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 12th, 2008 | 20 | 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) | 3.00 | 8.22 | -36.31 | 2 | 4 | 1 | 43 | 279.404 | 10 | ↓ |
Hi High (pH 8-9.5) | 3.00 | 6.06 | -5.24 | 1 | 4 | 0 | 42 | 278.396 | 10 | ↓ |
Mid Mid (pH 6-8) | 3.00 | 7.26 | -41.3 | 2 | 4 | 1 | 46 | 279.404 | 10 | ↓ |
Mid Mid (pH 6-8) | 3.00 | 9.4 | -115.97 | 3 | 4 | 2 | 47 | 280.412 | 10 | ↓ |