UCSF

ZINC67334876

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 8th, 2011 26 Yes

Popular Name: 4-amino-N-propyl-5-[4-(2-pyridyl)piperazine-1-carbonyl]isothiazole-3-carboxamide 4-amino-N-propyl-5-[4-(2-pyridyl…

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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) 1.15 4 -38.81 4 8 1 106 375.478 5 ↓
Mid Mid (pH 6-8) 1.15 3.69 -10.51 3 8 0 104 374.47 5 ↓

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

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