In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 19th, 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) | 1.93 | 4.37 | -56.66 | 4 | 4 | 1 | 70 | 262.358 | 4 | ↓ |
Hi High (pH 8-9.5) | 1.75 | 2.56 | -42.03 | 2 | 4 | -1 | 74 | 260.342 | 4 | ↓ |
Hi High (pH 8-9.5) | 2.49 | 3.08 | -8.88 | 3 | 4 | 0 | 71 | 261.35 | 3 | ↓ |
Mid Mid (pH 6-8) | 1.75 | 3.3 | -45.53 | 3 | 4 | 0 | 76 | 261.35 | 4 | ↓ |