UCSF

ZINC05052134

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
January 18th, 2006 27 No

Popular Name: 6-amino-2'-oxo-3-phenyl-1,1',3',4-tetrahydrospiro(pyrano[2,3-c]pyrazole-4,3'-[2'H]-indole)-5-carbonitrile 6-amino-2'-oxo-3-phenyl-1,1',3',…

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Other Names:

MFCD01450580

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) 1.96 2.01 -14.26 4 7 0 117 355.357 1 ↓
Ref Reference (pH 7) 1.96 1.3 -13.12 4 7 0 117 355.357 1 ↓
Hi High (pH 8-9.5) 2.03 -0.63 -51.72 2 7 -1 119 354.349 1 ↓
Lo Low (pH 4.5-6) 1.96 2.46 -54.65 5 7 1 118 356.365 1 ↓

Activity (Go SEA)

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