In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 11th, 2010 | 26 | No |
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) | -3.07 | -0.1 | -75 | 8 | 10 | 1 | 175 | 384.438 | 7 | ↓ |
Hi High (pH 8-9.5) | -3.07 | -0.91 | -58.32 | 6 | 10 | -1 | 173 | 382.422 | 7 | ↓ |
Mid Mid (pH 6-8) | -3.07 | -0.56 | -54.75 | 7 | 10 | 0 | 174 | 383.43 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.