UCSF

ZINC65504386

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2011 24 Yes

Popular Name: (3aS,6aS)-2-benzyl-5-(isoxazol-3-ylmethyl)-3,3a,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-6a-carboxyli (3aS,6aS)-2-benzyl-5-(isoxazol-3…

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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) 1.30 8.02 -46.33 1 6 0 74 327.384 5 ↓
Hi High (pH 8-9.5) 1.30 5.06 -48.85 0 6 -1 73 326.376 5 ↓
Mid Mid (pH 6-8) 1.30 8.05 -45.55 1 6 0 74 327.384 5 ↓
Lo Low (pH 4.5-6) 1.30 10.31 -87.62 2 6 1 75 328.392 5 ↓

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

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