In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 18th, 2008 | 36 | 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) | 2.85 | 6.04 | -58.29 | 0 | 9 | -1 | 101 | 491.52 | 9 | ↓ |
Mid Mid (pH 6-8) | 2.85 | 8.39 | -70.75 | 1 | 9 | 0 | 102 | 492.528 | 9 | ↓ |