In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 8th, 2004 | 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) | 3.45 | 12.84 | -43.96 | 2 | 6 | 1 | 64 | 404.604 | 10 | ↓ |
Mid Mid (pH 6-8) | 3.45 | 10.8 | -11.91 | 1 | 6 | 0 | 63 | 403.596 | 10 | ↓ |