In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 21st, 2010 | 37 | No |
None
None
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) | 4.82 | 13.28 | -51.5 | 2 | 6 | 1 | 63 | 494.615 | 5 | ↓ |
Hi High (pH 8-9.5) | 4.82 | 11.56 | -46.17 | 0 | 6 | -1 | 65 | 492.599 | 5 | ↓ |
Mid Mid (pH 6-8) | 4.82 | 13.24 | -50.57 | 2 | 6 | 1 | 63 | 494.615 | 5 | ↓ |
Mid Mid (pH 6-8) | 4.82 | 13.85 | -35.55 | 1 | 6 | 0 | 66 | 493.607 | 5 | ↓ |
Mid Mid (pH 6-8) | 4.82 | 10.98 | -11.7 | 1 | 6 | 0 | 62 | 493.607 | 5 | ↓ |