In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 11th, 2009 | 19 | 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) | 2.30 | 6.99 | -117.59 | 4 | 3 | 2 | 35 | 263.429 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.30 | 4.91 | -2.81 | 2 | 3 | 0 | 32 | 261.413 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.30 | 5.28 | -45.75 | 3 | 3 | 1 | 34 | 262.421 | 5 | ↓ |