UCSF

ZINC67934112

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 2011 24 Yes

Popular Name: 3-(isoquinoline-5-carbonyl)-3,7,10-triazaspiro[5.5]undecan-11-one 3-(isoquinoline-5-carbonyl)-3,7,…

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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) 0.18 2.16 -14.31 2 6 0 74 324.384 1 ↓
Mid Mid (pH 6-8) 0.18 3.33 -56.42 3 6 1 79 325.392 1 ↓

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Rings

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

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