In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 9th, 2011 | 26 | Yes |
Popular Name: 4-[4-[(7-methyl-1H-indol-3-yl)methyl]piperazin-1-yl]furo[3,2-c]pyridine 4-[4-[(7-methyl-1H-indol-3-yl)me…
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) | 3.23 | 8.32 | -9.47 | 1 | 5 | 0 | 48 | 346.434 | 3 | ↓ |
Mid Mid (pH 6-8) | 3.23 | 10.55 | -41.08 | 2 | 5 | 1 | 49 | 347.442 | 3 | ↓ |
Mid Mid (pH 6-8) | 3.23 | 8.79 | -33.06 | 2 | 5 | 1 | 50 | 347.442 | 3 | ↓ |
Lo Low (pH 4.5-6) | 3.23 | 11.01 | -98.89 | 3 | 5 | 2 | 51 | 348.45 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.