UCSF

ZINC62789004

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2011 21 Yes

Popular Name: 2-(3-azaspiro[5.5]undecan-3-yl)-4-chloro-benzamidine 2-(3-azaspiro[5.5]undecan-3-yl)-…

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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) 3.42 8.25 -34.68 4 3 1 55 306.861 2 ↓
Hi High (pH 8-9.5) 3.42 9.23 -2.67 3 3 0 53 305.853 2 ↓

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Rings

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

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