UCSF

ZINC52831025

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2010 16 Yes

Popular Name: N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)pyridazin-3-amine N-(5,6-dihydro-4H-cyclopenta[b]t…

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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) 2.15 6.31 -9.12 1 3 0 38 231.324 3 ↓
Mid Mid (pH 6-8) 2.15 6.47 -34.36 2 3 1 39 232.332 3 ↓
Mid Mid (pH 6-8) 2.15 6.49 -31.13 2 3 1 39 232.332 3 ↓

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Rings

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

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