In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 22nd, 2009 | 14 | 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) | 2.53 | 5.7 | -30.53 | 2 | 2 | 1 | 16 | 197.346 | 3 | ↓ |
Hi High (pH 8-9.5) | 2.53 | 3.31 | -0.58 | 1 | 2 | 0 | 15 | 196.338 | 3 | ↓ |
Lo Low (pH 4.5-6) | 2.53 | 4.49 | -35.66 | 2 | 2 | 1 | 20 | 197.346 | 3 | ↓ |
Lo Low (pH 4.5-6) | 2.53 | 6.9 | -106.11 | 3 | 2 | 2 | 21 | 198.354 | 3 | ↓ |