UCSF

ZINC58344951

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2011 22 Yes

Popular Name: (1R,2S)-1-[[(6S)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methylamino]indan-2-ol (1R,2S)-1-[[(6S)-2-methyl-4,5,6,…

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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) 1.54 4.52 -90.14 5 5 2 68 300.406 3 ↓
Hi High (pH 8-9.5) 1.54 3.29 -9.34 3 5 0 62 298.39 3 ↓
Mid Mid (pH 6-8) 1.54 4.41 -47.85 4 5 1 67 299.398 3 ↓

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

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