UCSF

ZINC12403645

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 12th, 2008 27 No

Popular Name: N'-(6-bromo-5-methyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-3-hydroxy-2-naphthohydrazide N'-(6-bromo-5-methyl-2-oxo-1,2-d…

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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) 5.14 6.45 -18.53 3 6 0 95 424.254 2 ↓
Ref Reference (pH 7) 5.14 6.62 -12.09 3 6 0 95 424.254 2 ↓
Hi High (pH 8-9.5) 5.60 4.56 -56.64 2 6 -1 98 423.246 2 ↓
Hi High (pH 8-9.5) 5.60 5.56 -118.1 1 6 -2 100 422.238 2 ↓
Hi High (pH 8-9.5) 4.97 7.54 -59.37 3 6 0 95 424.254 3 ↓
Hi High (pH 8-9.5) 5.14 7.62 -59.42 2 6 -1 97 423.246 2 ↓
Hi High (pH 8-9.5) 5.60 4.87 -45.86 2 6 -1 98 423.246 2 ↓
Hi High (pH 8-9.5) 5.60 5.88 -108.71 1 6 -2 100 422.238 2 ↓

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

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