| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 4th, 2011 | 27 | No |
Popular Name: (3aR)-5-(4-benzylpiperazin-1-yl)sulfonyl-3aH-indole-3-carbaldehyde (3aR)-5-(4-benzylpiperazin-1-yl)…
| 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) | 1.74 | 5.13 | -13.5 | 0 | 6 | 0 | 70 | 383.473 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 1.74 | 7.32 | -51.77 | 1 | 6 | 1 | 71 | 384.481 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
