UCSF

ZINC14007605

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 1st, 2008 18 No

Popular Name: (Z)-3-[(6-methoxy-3-pyridinyl)amino]-2-(1H-1,2,3,4-tetraazol-5-yl)-2-propenenitrile (Z)-3-[(6-methoxy-3-pyridinyl)am…

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CAS Number: 1025570-25-5

Other Names:

MFCD00170835

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) -0.16 0.28 -40.06 1 8 -1 111 242.222 4 ↓
Lo Low (pH 4.5-6) -0.16 1.53 -56.86 2 8 0 112 243.23 4 ↓
Lo Low (pH 4.5-6) -0.16 0.25 -11.16 2 8 0 112 243.23 4 ↓

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

No pre-computed analogs available. Try a structural similarity search.