| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 14th, 2011 | 20 | Yes |
Popular Name: 4-chloro-2-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-ylmethyl)phenol 4-chloro-2-(2,3,4,5-tetrahydro-1…
| 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) | 3.40 | 6.38 | -36.51 | 3 | 3 | 1 | 40 | 289.786 | 2 | ↓ |
| Hi High (pH 8-9.5) | 3.40 | 5.11 | -5.07 | 2 | 3 | 0 | 35 | 288.778 | 2 | ↓ |
| Hi High (pH 8-9.5) | 3.40 | 7.15 | -31.76 | 2 | 3 | 0 | 43 | 288.778 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
