In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 24th, 2004 | 34 | 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) | 2.60 | 1.45 | -22.23 | 0 | 10 | 0 | 109 | 452.478 | 7 | ↓ |
Mid Mid (pH 6-8) | 2.60 | 1.73 | -46.15 | 1 | 10 | 1 | 110 | 453.486 | 7 | ↓ |