UCSF

ZINC64548883

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2011 28 No

Popular Name: 4-methoxy-3-nitro-N-(5H-pyrido[4,3-b]indol-8-yl)benzenesulfonamide 4-methoxy-3-nitro-N-(5H-pyrido[4…

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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) 3.06 6.13 -58.08 2 9 0 133 398.4 5 ↓
Hi High (pH 8-9.5) 3.06 5.66 -46.41 1 9 -1 132 397.392 5 ↓
Lo Low (pH 4.5-6) 3.06 6.01 -48.61 3 9 1 131 399.408 5 ↓

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

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