In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 15th, 2011 | 21 | Yes |
Popular Name: (7-amino-1H-indol-2-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone (7-amino-1H-indol-2-yl)-[4-(2-hy…
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) | 0.53 | -0.27 | -10.53 | 4 | 6 | 0 | 86 | 288.351 | 3 | ↓ |
Lo Low (pH 4.5-6) | 0.53 | 2.01 | -45.74 | 5 | 6 | 1 | 87 | 289.359 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.