UCSF

ZINC39500167

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 27th, 2010 28 No

Popular Name: (3aS,4R,7aS)-1-(3,4-dimethylphenyl)-N-[[(2S)-2H-indol-2-yl]methyl]-3a,4,5,6,7,7a-hexahydroindazol-4- (3aS,4R,7aS)-1-(3,4-dimethylphen…

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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) 5.46 11.52 -56.56 3 4 1 48 373.524 4 ↓
Hi High (pH 8-9.5) 5.46 10.35 -9.24 2 4 0 43 372.516 4 ↓

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

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