| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 3rd, 2005 | 14 | No |
Popular Name: S-Benzyl-L-cysteine S-Benzyl-L-cysteine
Find On: PubMed — Wikipedia — Google
CAS Numbers: 1/1/3054 12:00:00 AM , 23032-53-3 , 3054-01-1 , 3054-1-1 , 5680-65-9 , [3054-01-1]
(R)-2-Amino-3- (S-Benzylthio)Propanoic Acid
(R)-2-Amino-3-(benzylthio)propanoic acid
(S)-2-AMINO-3-(S-BENZYLTHIO)PROPANOIC ACID
6304-78-5; S-benzylcysteine; nsc43125
cysteine, S-(phenylmethyl)-, hydrate
cysteine, S-(phenylmethyl)-, monohydrate
S-BAENZYL-D-Cyateine; (H-D-Cys-(Bzl)-OH)
| 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) | -0.91 | 5.38 | -32.41 | 3 | 3 | 0 | 68 | 211.286 | 5 | ↓ |
| Hi High (pH 8-9.5) | -0.91 | 5.08 | -41.8 | 2 | 3 | -1 | 66 | 210.278 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| ALOGPS_SOLUBILITY | 1.07e+00 g/l | DrugBank-experimental |
| Purity | 98% | Fluorochem |
| Melting_Point | ca 214? dec. | Alfa-Aesar |
| Melting_Point | ca 214° dec. | Alfa-Aesar |
| PUBCHEM_PATENT_ID | US4523012 | IBM Patent Data |
No pre-computed analogs available. Try a structural similarity search.