In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 20th, 2010 | 39 | 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) | -5.58 | -1.55 | -135.05 | 6 | 15 | -2 | 255 | 548.457 | 7 | ↓ |
Lo Low (pH 4.5-6) | -5.58 | -3.54 | -75.15 | 7 | 15 | -1 | 252 | 549.465 | 7 | ↓ |
Lo Low (pH 4.5-6) | -5.58 | -3.42 | -88.58 | 7 | 15 | -1 | 252 | 549.465 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.