UCSF

ZINC37052035

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 21 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) 0.19 6.64 -14.14 2 4 0 70 277.327 2
Mid Mid (pH 6-8) 0.19 6.95 -45.36 3 4 1 72 278.335 2

Activity (Go SEA)

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