UCSF

ZINC40058233

Substance Information

In ZINC since Heavy atoms Benign functionality
March 22nd, 2010 36 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) 4.47 12.31 -13.3 0 8 0 91 486.524 5
Mid Mid (pH 6-8) 4.47 12.64 -39.11 1 8 1 92 487.532 5

Activity (Go SEA)

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