UCSF

ZINC58315971

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2011 24 Yes

Popular Name: 3-(2-methylbenzimidazol-1-yl)-N-[[(6S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]propan 3-(2-methylbenzimidazol-1-yl)-N-…

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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) 1.58 8.08 -69.34 3 6 1 64 325.44 6 ↓
Mid Mid (pH 6-8) 1.58 8.52 -112.43 4 6 2 66 326.448 6 ↓
Mid Mid (pH 6-8) 1.58 8.24 -114.48 4 6 2 66 326.448 6 ↓
Lo Low (pH 4.5-6) 1.58 8.68 -166.7 5 6 3 67 327.456 6 ↓

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Rings

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

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