UCSF

ZINC00391118

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2005 12 Yes

Popular Name: DL-ISOCITRIC ACID LACTONE DL-ISOCITRIC ACID LACTONE

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CAS Number: 4702-32-3

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) -2.25 0.73 -120.26 0 6 -2 106 172.092 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 160 TCI

Activity (Go SEA)

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