UCSF

ZINC65531137

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2011 25 Yes

Popular Name: (3aS,6aS)-2-[(6-methoxy-1-methyl-indol-3-yl)methyl]-5-methyl-3,3a,4,6-tetrahydro-1H-pyrrolo[3,4-c]py (3aS,6aS)-2-[(6-methoxy-1-methyl…

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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) 1.43 7.57 -55.23 1 6 0 62 343.427 4 ↓
Hi High (pH 8-9.5) 1.43 4.89 -54.77 0 6 -1 61 342.419 4 ↓
Mid Mid (pH 6-8) 1.43 10.07 -86.43 2 6 1 63 344.435 4 ↓

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

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