UCSF

ZINC37292780

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 20 Yes

Popular Name: (1R,8aR)-N-[(3-isopropyl-1-methyl-pyrazol-4-yl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine (1R,8aR)-N-[(3-isopropyl-1-methy…

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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) 2.20 7.29 -34.56 2 4 1 34 277.436 4 ↓
Mid Mid (pH 6-8) 2.20 6.31 -42.04 2 4 1 38 277.436 4 ↓
Lo Low (pH 4.5-6) 2.20 8.56 -116.09 3 4 2 39 278.444 4 ↓

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

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