In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 10th, 2011 | 21 | No |
Popular Name: 1-(2-chloroethyl)-4-[[1-(1-ethylpropyl)pyrazol-3-yl]methyl]-1,4-diazepane 1-(2-chloroethyl)-4-[[1-(1-ethyl…
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) | 2.94 | 6.9 | -5.23 | 0 | 4 | 0 | 24 | 312.889 | 7 | ↓ |
Mid Mid (pH 6-8) | 2.94 | 8.74 | -38.24 | 1 | 4 | 1 | 26 | 313.897 | 7 | ↓ |
Mid Mid (pH 6-8) | 2.94 | 8.67 | -33.14 | 1 | 4 | 1 | 26 | 313.897 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.