UCSF

ZINC12538653

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2008 27 No

Popular Name: (3aS,7aR)-2-[2-[(2Z)-2-benzyliminothiazolidin-3-yl]-2-oxo-ethyl]-3a,4,7,7a-tetrahydroisoindole-1,3-d (3aS,7aR)-2-[2-[(2Z)-2-benzylimi…

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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) 1.56 9.57 -11.82 0 6 0 70 383.473 4 ↓
Mid Mid (pH 6-8) 1.56 8.79 -19.46 0 6 0 70 383.473 4 ↓
Mid Mid (pH 6-8) 1.56 8.81 -19.76 0 6 0 70 383.473 4 ↓
Mid Mid (pH 6-8) 1.56 8.79 -19.46 0 6 0 70 383.473 4 ↓

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

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