In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 3rd, 2005 | 30 | No |
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) | 5.12 | -0.04 | -7.87 | 0 | 6 | 0 | 74 | 476.367 | 5 | ↓ |
Mid Mid (pH 6-8) | 5.30 | -0.98 | -9.1 | 0 | 6 | 0 | 74 | 476.367 | 5 | ↓ |
Mid Mid (pH 6-8) | 5.12 | -0.05 | -11.04 | 0 | 6 | 0 | 74 | 476.367 | 5 | ↓ |