UCSF

ZINC69138717

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 19th, 2011 21 No

Popular Name: [(3R)-3-(9-azaspiro[5.5]undecan-9-yl)-1,1-dioxo-thian-3-yl]methanamine [(3R)-3-(9-azaspiro[5.5]undecan-…

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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) 1.40 2.4 -46.51 3 4 1 65 315.503 2 ↓
Mid Mid (pH 6-8) 1.40 4.24 -136.21 4 4 2 66 316.511 2 ↓
Mid Mid (pH 6-8) 1.40 1.93 -9.11 2 4 0 63 314.495 2 ↓
Mid Mid (pH 6-8) 1.40 3.79 -47.76 3 4 1 65 315.503 2 ↓

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

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