In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 20th, 2008 | 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) | 0.84 | 3.66 | -41.13 | 2 | 5 | 1 | 50 | 255.367 | 4 | ↓ |
Hi High (pH 8-9.5) | 0.84 | 1.49 | -15.07 | 1 | 5 | 0 | 48 | 254.359 | 4 | ↓ |
Mid Mid (pH 6-8) | 0.65 | 2.64 | -30.58 | 1 | 5 | 0 | 56 | 254.359 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.40 | 3.05 | -31.05 | 2 | 5 | 1 | 53 | 255.367 | 3 | ↓ |