In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 21st, 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) | 2.80 | 7.95 | -40.99 | 2 | 4 | 1 | 37 | 310.421 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.80 | 5.75 | -9.02 | 1 | 4 | 0 | 36 | 309.413 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.80 | 8.02 | -39.17 | 2 | 4 | 1 | 37 | 310.421 | 5 | ↓ |