In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 8th, 2010 | 19 | Yes |
Popular Name: 4-[(7R)-7-amino-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-2-yl]piperazin-2-one 4-[(7R)-7-amino-5,5-dimethyl-6,7…
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) | 0.00 | 2.14 | -49.24 | 4 | 5 | 1 | 73 | 281.405 | 1 | ↓ |
Hi High (pH 8-9.5) | 0.00 | 1.82 | -9.09 | 3 | 5 | 0 | 71 | 280.397 | 1 | ↓ |
Mid Mid (pH 6-8) | 0.00 | 2.53 | -107.08 | 5 | 5 | 2 | 74 | 282.413 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.