In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 19th, 2011 | 21 | 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) | 2.33 | 4.72 | -83.03 | 4 | 4 | 2 | 51 | 302.503 | 12 | ↓ |
Hi High (pH 8-9.5) | 2.33 | 3.28 | -30.35 | 3 | 4 | 1 | 49 | 301.495 | 12 | ↓ |