UCSF

ZINC79274886

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 17th, 2012 8 No

Popular Name: L-Asparagine L-Asparagine

Find On: PubMed — Wikipedia — Google

CAS Number: 70-47-3

Download: MOL2 SDF SMILES Flexibase

Physical Representations

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) -0.78 -3.66 -39.75 5 4 1 88 117.128 3 ↓
Mid Mid (pH 6-8) -1.62 -4.63 -27.29 5 4 0 94 116.12 2 ↓
Mid Mid (pH 6-8) -1.62 -4.56 -53.99 4 4 -1 92 115.112 2 ↓
Mid Mid (pH 6-8) -0.78 -4 -11.71 4 4 0 86 116.12 3 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0025233A1; EP0040149A1; EP0054514A1; EP0083864A2; EP0106404A2; EP0108942A2; EP0135376A2; EP0161017A1; EP0165123A2; EP0173510A2; EP0222591A2; EP0222591B1; EP0225066A2; EP0225634A2; EP0225634B1; EP0233154A2; EP0233154B1; EP0236874A2; EP0237082A2; EP023708 IBM Patent Data
PUBCHEM_PATENT_ID WO2000055156A1 IBM Patent Data

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.