In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 2nd, 2008 | 18 | 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) | -0.24 | 3.65 | -88.82 | 3 | 5 | 2 | 45 | 256.394 | 4 | ↓ |
Hi High (pH 8-9.5) | -0.24 | 0.07 | -8.26 | 1 | 5 | 0 | 39 | 254.378 | 4 | ↓ |
Mid Mid (pH 6-8) | -0.24 | 3.67 | -99.97 | 3 | 5 | 2 | 45 | 256.394 | 4 | ↓ |
Mid Mid (pH 6-8) | -0.24 | 2.36 | -36.82 | 2 | 5 | 1 | 40 | 255.386 | 4 | ↓ |