In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 30th, 2008 | 37 | 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) | 3.29 | 7.86 | -47.36 | 2 | 9 | 1 | 88 | 505.643 | 9 | ↓ |
Mid Mid (pH 6-8) | 3.29 | 7.86 | -50.31 | 2 | 9 | 1 | 88 | 505.643 | 9 | ↓ |
Mid Mid (pH 6-8) | 3.29 | 5.54 | -13.6 | 1 | 9 | 0 | 87 | 504.635 | 9 | ↓ |