In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 6th, 2004 | 8 | No |
Popular Name: Ketomalonic acid Ketomalonic acid
Find On: PubMed — Wikipedia — Google
CAS Numbers: 21085-60-9 , 31635-99-1 , 473-90-5 , 7346-13-6 , [7346-13-6]
473-90-5; C00830; Ketomalonic acid; Mesoxalic acid; Oxomalonate; Oxomalonic acid
473-90-5; ketomalonic acid; mesoxalic acid; oxomalonate; oxomalonic acid
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) | -2.03 | 0.8 | -103.58 | 0 | 5 | -2 | 97 | 116.028 | 2 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
ALOGPS_SOLUBILITY | 1.45e+01 g/l | DrugBank-experimental |
No pre-computed analogs available. Try a structural similarity search.