In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 3rd, 2010 | 32 | 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) | 0.81 | 3.23 | -52.13 | 3 | 8 | 1 | 88 | 510.453 | 5 | ↓ |
Mid Mid (pH 6-8) | 0.81 | 5.65 | -107.08 | 4 | 8 | 2 | 89 | 511.461 | 5 | ↓ |