UCSF

ZINC08567391

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 1st, 2006 30 No

Popular Name: 6-amino-3-(4-methoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile-4-spiro-3'-(5'-fluoro-1',3'-dihydro-2'H-indol-2'-one) 6-amino-3-(4-methoxyphenyl)-2,4-…

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Other Names:

MFCD03863439

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) 2.15 0.65 -13.94 4 8 0 126 403.373 2 ↓
Hi High (pH 8-9.5) 2.23 -1.08 -41.33 2 8 -1 128 402.365 2 ↓
Lo Low (pH 4.5-6) 2.15 1.54 -61.31 5 8 1 128 404.381 2 ↓

Activity (Go SEA)

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