UCSF

ZINC00001169

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2004 14 Yes

Popular Name: LS-187757 LS-187757

Find On: PubMed — Wikipedia — Google

CAS Number: [61177-45-5]

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) -2.42 -3.51 -52.72 1 6 -1 90 198.154 2 ↓

Activity (Go SEA)

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