In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 3rd, 2010 | 28 | 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) | 2.64 | 7.82 | -46.9 | 3 | 6 | 1 | 72 | 384.5 | 8 | ↓ |
Mid Mid (pH 6-8) | 2.64 | 5.28 | -10.87 | 2 | 6 | 0 | 71 | 383.492 | 8 | ↓ |