UCSF

ZINC05164040

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 24th, 2006 28 No

Popular Name: 6'-amino-5'-cyano-3'-(4-methylphenyl)-1,2',3,4'-tetrahydrospiro(2H-indole-3,4'-pyrano[2,3-c]pyrazole)-2-one 6'-amino-5'-cyano-3'-(4-methylph…

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Other Names:

MFCD05725294

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) 2.41 1.96 -12.96 4 7 0 117 369.384 1 ↓
Ref Reference (pH 7) 2.41 2.69 -14.21 4 7 0 117 369.384 1 ↓
Hi High (pH 8-9.5) 2.48 0.21 -44.4 2 7 -1 119 368.376 1 ↓
Lo Low (pH 4.5-6) 2.41 2.81 -59.28 5 7 1 118 370.392 1 ↓

Activity (Go SEA)

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