| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 4th, 2005 | 12 | Yes |
Popular Name: Allantoic acid Allantoic acid
Find On: PubMed — Wikipedia — Google
CAS Number: 99-16-1
2,2-bis(carbamoylamino)acetic acid
2,2-di[(aminocarbonyl)amino]acetic acid
99-16-1; allantoate; allantoic acid
99-16-1; Allantoate; Allantoic acid; C00499
Acetic acid,2,2-bis[(aminocarbonyl)amino]-
Allantoate; Allantoic acid; bis[(aminocarbonyl)amino]acetate; Diureidoacetate; Diureidoacetic acid
allantoate; bis[(aminocarbonyl)amino]acetate; diureidoacetate
Allantoate;Allantoic acid;Diureidoacetate;Diureidoacetic 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) | -2.35 | -9.58 | -50.57 | 6 | 8 | -1 | 150 | 175.124 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| ALOGPS_SOLUBILITY | 2.72e+01 g/l | DrugBank-experimental |
| UniProt Database Links | AAH_ARATH; AAH_ORYSJ; ALLB_BACA2; ALLB_BACHD; ALLB_BACLD; ALLB_BACSK; ALLB_BACSU; ALLB_DEIGD; ALLB_DEIRA; ALLB_DESHD; ALLB_DESHY; ALLB_ECO24; ALLB_ECO27; ALLB_ECO45; ALLB_ECO55; ALLB_ECO81; ALLB_ECO8A; ALLB_ECOBW; ALLB_ECODH; ALLB_ECOHS; ALLB_ECOK1; ALLB_ | ChEBI |
