In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 23rd, 2009 | 11 | No |
Popular Name: 2,5-Pyrrolidinedione, 1-hydroxy-3-(1-methylethyl)- (9CI) 2,5-Pyrrolidinedione, 1-hydroxy-…
Find On: PubMed — Wikipedia — Google
CAS Number: 121757-21-9
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) | 1.05 | 1.96 | -11.23 | 1 | 4 | 0 | 58 | 157.169 | 1 | ↓ |
Mid Mid (pH 6-8) | 1.05 | 3.1 | -59.28 | 0 | 4 | -1 | 60 | 156.161 | 1 | ↓ |
Mid Mid (pH 6-8) | 1.05 | 3.1 | -59.29 | 0 | 4 | -1 | 60 | 156.161 | 1 | ↓ |