UCSF

ZINC69082663

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 18th, 2011 19 Yes

Popular Name: (2S)-2-amino-3-(9-azaspiro[5.5]undecan-9-yl)-2-cyclopropyl-propanenitrile (2S)-2-amino-3-(9-azaspiro[5.5]u…

Find On: PubMed — Wikipedia — Google

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) 2.86 7.5 -45.37 3 3 1 54 262.421 3 ↓
Hi High (pH 8-9.5) 2.86 5.59 -4.7 2 3 0 53 261.413 3 ↓

Activity (Go SEA)

Rings

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

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