UCSF

ZINC69990231

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2011 21 Yes

Popular Name: (1S)-2-(1-isopropylpyrazol-3-yl)-1-(1-isoquinolyl)ethanamine (1S)-2-(1-isopropylpyrazol-3-yl)…

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) 1.01 6.39 -35.54 3 4 1 58 281.383 4 ↓
Hi High (pH 8-9.5) 1.01 6.12 -7.94 2 4 0 57 280.375 4 ↓
Lo Low (pH 4.5-6) 1.01 6.64 -28.16 3 4 1 58 281.383 4 ↓

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

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