In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 19th, 2009 | 19 | 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) | 1.92 | 6.65 | -39.12 | 1 | 4 | 1 | 41 | 260.361 | 5 | ↓ |
Mid Mid (pH 6-8) | 1.92 | 6.53 | -43.21 | 1 | 4 | 1 | 41 | 260.361 | 5 | ↓ |
Mid Mid (pH 6-8) | 1.92 | 4.28 | -6.96 | 0 | 4 | 0 | 40 | 259.353 | 5 | ↓ |