UCSF

ZINC69993744

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2011 20 Yes

Popular Name: N-[[(3S)-1-isopropylpyrrolidin-3-yl]methyl]-1-[1-[(1S)-1-methylpropyl]pyrazol-3-yl]methanamine N-[[(3S)-1-isopropylpyrrolidin-3…

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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) 2.63 7.13 -34.28 2 4 1 34 279.452 7 ↓
Mid Mid (pH 6-8) 2.63 6.14 -39.62 2 4 1 38 279.452 7 ↓
Mid Mid (pH 6-8) 2.63 8.5 -98.25 3 4 2 39 280.46 7 ↓

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

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