UCSF

ZINC36124295

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 31 No

Popular Name: N-(3-nitrophenyl)-2-[(2E,5S)-4-oxo-2-[(E)-[(1S,4S)-1,7,7-trimethylnorbornan-2-ylidene]hydrazono]thia N-(3-nitrophenyl)-2-[(2E,5S)-4-o…

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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) 3.30 8.51 -57.68 1 9 -1 131 442.521 6 ↓
Mid Mid (pH 6-8) 3.30 8.64 -23.3 2 9 0 129 443.529 6 ↓

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

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