In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 1st, 2009 | 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) | -0.64 | 3.95 | -35.02 | 3 | 9 | 0 | 133 | 420.462 | 8 | ↓ |
Mid Mid (pH 6-8) | -0.64 | 2.86 | -53.9 | 2 | 9 | -1 | 128 | 419.454 | 8 | ↓ |