In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 18th, 2008 | 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) | 4.64 | 11.26 | -28.75 | 1 | 4 | 1 | 34 | 391.564 | 4 | ↓ |
Mid Mid (pH 6-8) | 4.64 | 13.65 | -83.18 | 2 | 4 | 2 | 35 | 392.572 | 4 | ↓ |
Mid Mid (pH 6-8) | 4.64 | 10.96 | -8.63 | 0 | 4 | 0 | 32 | 390.556 | 4 | ↓ |