UCSF

ZINC00994162

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2004 29 No

Popular Name: 2-amino-4-{3-nitro-2,4,6-trimethylphenyl}-4a,5,6,7-tetrahydro-1,3,3(4H)-naphthalenetricarbonitrile 2-amino-4-{3-nitro-2,4,6-trimeth…

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Other Names:

MFCD01049114

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) 4.23 7.74 -19.63 2 7 0 143 387.443 2 ↓
Lo Low (pH 4.5-6) 4.23 7.98 -51.42 3 7 1 145 388.451 2 ↓

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

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