In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 1st, 2007 | 34 | 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) | 3.41 | 12.11 | -72.27 | 1 | 9 | 0 | 120 | 467.522 | 10 | ↓ |
Mid Mid (pH 6-8) | 3.86 | 12.16 | -53.02 | 2 | 9 | 1 | 117 | 468.53 | 9 | ↓ |