In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 17th, 2010 | 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) | 4.37 | 9.25 | -35.43 | 2 | 2 | 1 | 29 | 301.479 | 5 | ↓ |
Mid Mid (pH 6-8) | 4.37 | 8.5 | -4.01 | 1 | 2 | 0 | 25 | 300.471 | 5 | ↓ |
Lo Low (pH 4.5-6) | 4.37 | 9.64 | -101 | 3 | 2 | 2 | 31 | 302.487 | 5 | ↓ |