UCSF

ZINC05634055

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 8th, 2006 24 No

Popular Name: 6'-amino-3'-propyl-1,1',3,4'-dihydro-2-oxospiro(2H-indole-3,4'-pyrano[2,3-c]pyrazole)-5'-carbonitrile 6'-amino-3'-propyl-1,1',3,4'-dih…

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Other Names:

MFCD01871845

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) 1.58 0.82 -11.76 4 7 0 117 321.34 2 ↓
Hi High (pH 8-9.5) 1.87 -1.74 -42.01 2 7 -1 119 320.332 2 ↓
Lo Low (pH 4.5-6) 1.58 1.17 -56.76 5 7 1 118 322.348 2 ↓

Activity (Go SEA)

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