In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 2nd, 2010 | 21 | 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) | 1.70 | 3.41 | -9.01 | 1 | 7 | 0 | 87 | 358.192 | 5 | ↓ |
Mid Mid (pH 6-8) | 1.70 | 5.68 | -46.16 | 2 | 7 | 1 | 89 | 359.2 | 5 | ↓ |