UCSF

ZINC65534018

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2011 23 No

Popular Name: 2-(4-bromoanilino)-N'-{2-hydroxy-5-nitrobenzylidene}propanohydrazide 2-(4-bromoanilino)-N'-{2-hydroxy…

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Other Names:

MFCD01206617

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) 0.90 1.5 -56.61 3 6 1 80 344.501 6 ↓
Hi High (pH 8-9.5) 0.90 -0.94 -22.31 2 6 0 79 343.493 6 ↓
Hi High (pH 8-9.5) 0.90 0.5 -63.22 3 6 1 83 344.501 6 ↓
Lo Low (pH 4.5-6) 0.90 2.95 -131.62 4 6 2 84 345.509 6 ↓

Activity (Go SEA)

Rings

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

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