In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 19th, 2011 | 19 | Yes |
Popular Name: 2-[[(9aR)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl]methyl]-4-amino-phenol 2-[[(9aR)-1,3,4,5,7,8,9,9a-octah…
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) | 1.28 | 3.68 | -32.43 | 4 | 4 | 1 | 54 | 262.377 | 2 | ↓ |
Mid Mid (pH 6-8) | 1.28 | 3.17 | -31.24 | 4 | 4 | 1 | 54 | 262.377 | 2 | ↓ |
Lo Low (pH 4.5-6) | 1.28 | 5.23 | -100.71 | 5 | 4 | 2 | 55 | 263.385 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.