In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 6th, 2004 | 18 | 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) | 2.54 | 5.96 | -9.64 | 1 | 3 | 0 | 38 | 241.29 | 4 | ↓ |
Mid Mid (pH 6-8) | 2.61 | 4.64 | -29.25 | 2 | 3 | 1 | 43 | 242.298 | 4 | ↓ |