In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 10th, 2010 | 31 | Yes |
Popular Name: 4-[4-(1H-indol-2-ylmethyl)piperazin-1-yl]-2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine 4-[4-(1H-indol-2-ylmethyl)pipera…
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) | 4.98 | 12.48 | -29.24 | 2 | 5 | 1 | 49 | 410.545 | 4 | ↓ |
Mid Mid (pH 6-8) | 4.98 | 12.16 | -10.25 | 1 | 5 | 0 | 48 | 409.537 | 4 | ↓ |
Mid Mid (pH 6-8) | 4.98 | 14.68 | -88.6 | 3 | 5 | 2 | 50 | 411.553 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.