UCSF

ZINC51385362

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2010 20 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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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) 1.23 5.01 -13.79 1 5 0 59 278.352 8
Mid Mid (pH 6-8) 1.23 7.2 -41.48 2 5 1 60 279.36 8

Activity (Go SEA)

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