In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 1st, 2009 | 25 | 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) | 3.28 | 7.83 | -43.08 | 2 | 4 | 1 | 43 | 344.475 | 4 | ↓ |
Mid Mid (pH 6-8) | 3.28 | 5.76 | -8.1 | 1 | 4 | 0 | 42 | 343.467 | 4 | ↓ |