UCSF

ZINC69091471

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 18th, 2011 20 Yes

Popular Name: (2S)-2-cyclopropyl-2-(cyclopropylamino)-3-(1-cyclopropyltetrazol-5-yl)sulfanyl-propanenitrile (2S)-2-cyclopropyl-2-(cyclopropy…

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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) 1.47 5.47 -12.76 1 6 0 79 290.396 7 ↓
Lo Low (pH 4.5-6) 1.47 6.61 -49.85 2 6 1 84 291.404 7 ↓

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

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