UCSF

ZINC19853138

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 27 No

Popular Name: 2-{6'-amino-5'-cyano-3-methyl-2-oxo-2,2',3,4'-tetrahydrospiro(1H-indole-3,4'-pyrano[2,3-c]pyrazole)-1-yl}propanoic acid 2-{6'-amino-5'-cyano-3-methyl-2-…

Find On: PubMed — Wikipedia — Google

Other Names:

MFCD06590091

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) -1.13 1.63 -67.62 3 9 -1 148 364.341 2 ↓
Lo Low (pH 4.5-6) -1.13 1.33 -84.2 4 9 0 150 365.349 2 ↓

Activity (Go SEA)

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