UCSF

ZINC02082980

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2004 35 No

Popular Name: 2-amino-4-[3-({4-nitro-1H-pyrazol-1-yl}methyl)-4-methoxyphenyl]-5-oxo-4H,5H-pyrano[3,2-c]chromene-3-carbonitrile 2-amino-4-[3-({4-nitro-1H-pyrazo…

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Other Names:

MFCD01451837

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) 2.64 9.55 -19.86 2 11 0 162 471.429 5 ↓
Lo Low (pH 4.5-6) 2.64 9.96 -66.21 3 11 1 164 472.437 5 ↓

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

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