UCSF

ZINC00129406

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2005 15 Yes

Popular Name: 2-[(aminocarbonyl)amino]-3-phenylpropanoic acid 2-[(aminocarbonyl)amino]-3-pheny…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 37534-65-9 , 949-45-1

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) -1.05 2.64 -53.69 3 5 -1 95 207.209 4 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 1.84e+00 g/l DrugBank-experimental
MP 186 - 188 Enamine Building Blocks
MP 186...188 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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

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