UCSF

ZINC50659854

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 21st, 2010 21 Yes

Popular Name: 6-amino-N-(5-isoquinolyl)pyridine-3-sulfonamide 6-amino-N-(5-isoquinolyl)pyridin…

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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) 1.52 1.96 -44.69 2 6 -1 100 299.335 3 ↓
Mid Mid (pH 6-8) 1.52 2.91 -60.35 4 6 1 103 301.351 3 ↓
Mid Mid (pH 6-8) 1.52 2.45 -43.89 3 6 0 101 300.343 3 ↓
Lo Low (pH 4.5-6) 1.52 1.88 -12.66 3 6 0 98 300.343 3 ↓

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Rings

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

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