UCSF

ZINC65536162

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2011 20 No

Popular Name: (3aR,4S)-4-[(3S)-4-chloro-1-methyl-2,3-dihydroindazol-3-yl]-4,5,6,7-tetrahydro-3aH-imidazo[4,5-c]pyr (3aR,4S)-4-[(3S)-4-chloro-1-meth…

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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) 2.08 4.67 -33.66 4 5 1 57 290.778 1 ↓
Hi High (pH 8-9.5) 2.08 4.2 -8.58 3 5 0 56 289.77 1 ↓
Lo Low (pH 4.5-6) 2.08 5.55 -33.22 4 5 1 61 290.778 1 ↓
Lo Low (pH 4.5-6) 2.08 6.04 -92.78 5 5 2 62 291.786 1 ↓

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

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