In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 30th, 2007 | 33 | Yes |
None
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) | 3.53 | 7.88 | -12.49 | 2 | 7 | 0 | 91 | 438.487 | 7 | ↓ |
Mid Mid (pH 6-8) | 3.53 | 8.65 | -52.27 | 1 | 7 | -1 | 94 | 437.479 | 7 | ↓ |
Lo Low (pH 4.5-6) | 3.53 | 8.34 | -41.89 | 3 | 7 | 1 | 93 | 439.495 | 7 | ↓ |