In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 1st, 2009 | 20 | Yes |
Popular Name: (1-aminocyclopentyl)-[4-(3-thienylmethyl)piperazin-1-yl]methanone (1-aminocyclopentyl)-[4-(3-thien…
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) | 1.42 | 3.54 | -50.88 | 3 | 4 | 1 | 51 | 294.444 | 3 | ↓ |
Hi High (pH 8-9.5) | 1.42 | 3.35 | -7.78 | 2 | 4 | 0 | 50 | 293.436 | 3 | ↓ |
Mid Mid (pH 6-8) | 1.42 | 5.76 | -117.7 | 4 | 4 | 2 | 52 | 295.452 | 3 | ↓ |