In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 31st, 2011 | 23 | Yes |
Popular Name: (3-chloro-1-methyl-indol-2-yl)-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methanone (3-chloro-1-methyl-indol-2-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) | 2.13 | 4.46 | -10.66 | 1 | 5 | 0 | 49 | 335.835 | 3 | ↓ |
Lo Low (pH 4.5-6) | 2.13 | 6.62 | -42.82 | 2 | 5 | 1 | 50 | 336.843 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.