In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 27th, 2011 | 28 | 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) | -5.11 | -7.25 | -39.86 | 5 | 13 | 0 | 217 | 389.376 | 6 | ↓ |
Hi High (pH 8-9.5) | -5.00 | -8.29 | -52.64 | 4 | 13 | -1 | 221 | 388.368 | 6 | ↓ |
Mid Mid (pH 6-8) | -5.17 | -4.24 | -44.34 | 6 | 13 | 1 | 211 | 390.384 | 6 | ↓ |
Mid Mid (pH 6-8) | -5.11 | -6.75 | -65.45 | 6 | 13 | 1 | 218 | 390.384 | 6 | ↓ |
Lo Low (pH 4.5-6) | -5.17 | -3.73 | -99.54 | 7 | 13 | 2 | 212 | 391.392 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.