UCSF

ZINC30755286

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2009 28 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) 5.48 8.21 -40.35 1 5 -1 77 454.742 5
Mid Mid (pH 6-8) 5.48 8.14 -12.31 2 5 0 75 455.75 5

Activity (Go SEA)

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