UCSF

ZINC36865618

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 19 No

Popular Name: 5-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-4-cyclopropyl-1,2,4-triazole-3-thiol 5-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-o…

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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) 2.52 10.97 -8.94 1 4 0 37 278.425 2 ↓
Hi High (pH 8-9.5) 3.25 11.44 -48.31 0 4 -1 34 277.417 2 ↓
Mid Mid (pH 6-8) 3.25 11.08 -37.73 1 4 0 35 278.425 2 ↓

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

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