In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 6th, 2006 | 22 | 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) | 3.51 | 3.91 | -14.85 | 2 | 3 | 0 | 53 | 289.334 | 2 | ↓ |
Mid Mid (pH 6-8) | 3.51 | 4.23 | -25.9 | 3 | 3 | 1 | 55 | 290.342 | 2 | ↓ |