UCSF

ZINC37169107

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2009 19 Yes

Popular Name: (4R)-N-[(1R,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine (4R)-N-[(1R,8R)-2,3,5,6,7,8-hexa…

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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) 0.51 6.51 -36.25 2 4 1 34 261.393 2 ↓
Lo Low (pH 4.5-6) 0.51 4.73 -39.45 2 4 1 38 261.393 2 ↓
Lo Low (pH 4.5-6) 0.51 6.65 -75.28 3 4 2 36 262.401 2 ↓

Activity (Go SEA)

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