UCSF

ZINC25453024

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 23 No

Popular Name: (3aS,7aR)-2-[[[(1R)-indan-1-yl]-methyl-amino]methyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione (3aS,7aR)-2-[[[(1R)-indan-1-yl]-…

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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) 2.86 7.97 -7.13 0 4 0 41 312.413 3 ↓
Mid Mid (pH 6-8) 2.86 10.18 -33.43 1 4 1 42 313.421 3 ↓
Lo Low (pH 4.5-6) 2.86 10.31 -32.72 1 4 1 42 313.421 3 ↓

Activity (Go SEA)

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