UCSF

ZINC04149792

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2005 25 No

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

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Other Names:

MFCD01450597

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) 2.23 1.02 -11.8 4 7 0 117 335.367 1 ↓
Hi High (pH 8-9.5) 2.14 -1.6 -47.5 2 7 -1 119 334.359 1 ↓
Lo Low (pH 4.5-6) 2.23 0.6 -57.95 5 7 1 118 336.375 1 ↓

Activity (Go SEA)

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