UCSF

ZINC00000312

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 14th, 2005 18 Yes

Popular Name: USAN) USAN)

Find On: PubMed — Wikipedia — Google

CAS Number: 40594-09-0

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) 2.09 2.16 -42.56 2 2 1 20 251.3 1 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US3959309; US4062864; US4172834; US4257952 IBM Patent Data

Activity (Go SEA)

Rings

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