UCSF

ZINC12359573

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 9th, 2008 19 Yes

Popular Name: Pyrrolidine-1,3,4-tricarboxylic acid 1-tert-butyl 3-methyl diester Pyrrolidine-1,3,4-tricarboxylic …

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CAS Number: 1210863-93-6

Download: MOL2 SDF SMILES Flexibase

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) 0.91 1.65 -49.38 0 7 -1 96 272.277 5 ↓

Activity (Go SEA)

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