UCSF

ZINC39301600

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 33 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) 5.65 15.14 -8.42 0 5 0 35 437.591 5
Mid Mid (pH 6-8) 5.65 16.8 -46.73 1 5 1 37 438.599 5
Mid Mid (pH 6-8) 5.65 15.57 -30.52 1 5 1 37 438.599 5
Mid Mid (pH 6-8) 5.65 17.26 -96.72 2 5 2 38 439.607 5

Activity (Go SEA)

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