In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 6th, 2010 | 19 | Yes |
Popular Name: 4-(4-amino-5-methyl-thiophene-2-carbonyl)piperazine-1-sulfonamide 4-(4-amino-5-methyl-thiophene-2-…
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) | -0.44 | -2.04 | -13.59 | 4 | 7 | 0 | 110 | 304.397 | 2 | ↓ |
Hi High (pH 8-9.5) | -0.44 | -1.55 | -41.29 | 3 | 7 | -1 | 107 | 303.389 | 2 | ↓ |
Lo Low (pH 4.5-6) | -0.44 | -2.24 | -53.69 | 5 | 7 | 1 | 111 | 305.405 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.