In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 6th, 2010 | 21 | Yes |
Popular Name: (4-amino-5-methyl-2-thienyl)-[4-(3-thienylmethyl)piperazin-1-yl]methanone (4-amino-5-methyl-2-thienyl)-[4-…
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) | 1.79 | 4.2 | -8.6 | 2 | 4 | 0 | 50 | 321.471 | 3 | ↓ |
Mid Mid (pH 6-8) | 1.79 | 6.41 | -47.09 | 3 | 4 | 1 | 51 | 322.479 | 3 | ↓ |
Lo Low (pH 4.5-6) | 1.79 | 6.21 | -99.37 | 4 | 4 | 2 | 52 | 323.487 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.