In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 6th, 2010 | 20 | No |
Popular Name: 2-[(1S)-1-chloroethyl]-1-[2-(1-piperidyl)ethyl]benzimidazole 2-[(1S)-1-chloroethyl]-1-[2-(1-p…
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) | 3.48 | 10.7 | -50.29 | 1 | 3 | 1 | 22 | 292.834 | 4 | ↓ |
Hi High (pH 8-9.5) | 3.48 | 8.48 | -7.58 | 0 | 3 | 0 | 21 | 291.826 | 4 | ↓ |
Lo Low (pH 4.5-6) | 3.48 | 11.1 | -96.38 | 2 | 3 | 2 | 24 | 293.842 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.