UCSF

ZINC95953049

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2014 0 Yes

Popular Name: Aloin Aloin

Find On: PubMed — Wikipedia — Google

CAS Number: 1415-73-2

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) 0.18 -5.58 -18.04 7 9 0 168 418.398 3 ↓

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

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