In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 1st, 2008 | 38 | 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) | 3.35 | 10.28 | -19.42 | 0 | 9 | 0 | 85 | 525.646 | 10 | ↓ |
Mid Mid (pH 6-8) | 3.35 | 12.55 | -63.22 | 1 | 9 | 1 | 86 | 526.654 | 10 | ↓ |