In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 19th, 2008 | 23 | 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) | 2.96 | 7.31 | -30.89 | 3 | 4 | 1 | 43 | 312.437 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.96 | 7.16 | -5.31 | 2 | 4 | 0 | 42 | 311.429 | 5 | ↓ |
Lo Low (pH 4.5-6) | 2.96 | 8.95 | -90.35 | 4 | 4 | 2 | 45 | 313.445 | 5 | ↓ |