In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 1st, 2009 | 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) | 1.28 | 3.21 | -36.64 | 2 | 4 | 1 | 37 | 251.35 | 6 | ↓ |
Mid Mid (pH 6-8) | 1.28 | 0.84 | -7.32 | 1 | 4 | 0 | 36 | 250.342 | 6 | ↓ |
Mid Mid (pH 6-8) | 1.28 | 3.24 | -33.27 | 2 | 4 | 1 | 37 | 251.35 | 6 | ↓ |