In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 16th, 2009 | 15 | 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) | 0.91 | 4.03 | -48.99 | 4 | 3 | 1 | 56 | 202.281 | 3 | ↓ |
Mid Mid (pH 6-8) | 0.91 | 4.37 | -106.21 | 5 | 3 | 2 | 58 | 203.289 | 3 | ↓ |
Lo Low (pH 4.5-6) | 0.91 | 4.37 | -106.16 | 5 | 3 | 2 | 58 | 203.289 | 3 | ↓ |