UCSF

ZINC39745668

Substance Information

In ZINC since Heavy atoms Benign functionality
March 6th, 2010 27 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) 2.26 8.64 -12.92 0 7 0 63 389.525 8
Mid Mid (pH 6-8) 2.26 10.99 -49.09 1 7 1 65 390.533 8

Activity (Go SEA)

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