In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 10th, 2010 | 19 | 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) | 2.16 | 6.94 | -27.84 | 3 | 3 | 1 | 40 | 283.461 | 6 | ↓ |
Hi High (pH 8-9.5) | 2.16 | 4.91 | -2.62 | 2 | 3 | 0 | 38 | 282.453 | 6 | ↓ |
Mid Mid (pH 6-8) | 2.16 | 5.26 | -36.17 | 3 | 3 | 1 | 40 | 283.461 | 6 | ↓ |
Mid Mid (pH 6-8) | 2.16 | 7.37 | -111.79 | 4 | 3 | 2 | 41 | 284.469 | 6 | ↓ |