In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 7th, 2009 | 28 | 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) | 1.81 | 8.52 | -47.23 | 2 | 7 | 1 | 72 | 384.504 | 8 | ↓ |
Hi High (pH 8-9.5) | 1.81 | 6.42 | -15.87 | 1 | 7 | 0 | 70 | 383.496 | 8 | ↓ |