In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 19th, 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) | 1.47 | 4.18 | -50.43 | 2 | 6 | -1 | 94 | 264.305 | 8 | ↓ |
Mid Mid (pH 6-8) | 1.47 | 4.64 | -67.61 | 3 | 6 | 0 | 95 | 265.313 | 8 | ↓ |
Lo Low (pH 4.5-6) | 1.47 | 3.52 | -41.82 | 4 | 6 | 1 | 93 | 266.321 | 8 | ↓ |