In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 10th, 2011 | 24 | Yes |
Popular Name: 3-isobutyl-6-methyl-5-(4-methylpiperazine-1-carbonyl)furo[2,3-d]pyrimidin-4-one 3-isobutyl-6-methyl-5-(4-methylp…
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) | 0.30 | 4.75 | -20.13 | 0 | 7 | 0 | 72 | 332.404 | 3 | ↓ |
Mid Mid (pH 6-8) | 0.30 | 7.11 | -53.05 | 1 | 7 | 1 | 73 | 333.412 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.