In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 18th, 2008 | 35 | 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) | 5.08 | 12.29 | -47.9 | 2 | 5 | 1 | 50 | 510.127 | 8 | ↓ |
Mid Mid (pH 6-8) | 5.08 | 12.23 | -50.56 | 2 | 5 | 1 | 50 | 510.127 | 8 | ↓ |
Mid Mid (pH 6-8) | 5.08 | 9.91 | -13.1 | 1 | 5 | 0 | 48 | 509.119 | 8 | ↓ |