UCSF

ZINC68870484

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 14th, 2011 19 Yes

Popular Name: (1R)-1-(1-methylindolin-5-yl)-2-(1-methylpyrazol-4-yl)ethanol (1R)-1-(1-methylindolin-5-yl)-2-…

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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) 1.38 5.43 -9.8 1 4 0 41 257.337 3 ↓
Lo Low (pH 4.5-6) 1.38 6.01 -40.24 2 4 1 42 258.345 3 ↓

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

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