UCSF

ZINC33916505

Substance Information

In ZINC since Heavy atoms Benign functionality
August 1st, 2009 29 No

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) -1.15 3.35 -29.48 4 8 0 135 396.399 5
Hi High (pH 8-9.5) -1.15 2.28 -54.87 3 8 -1 130 395.391 5
Mid Mid (pH 6-8) -1.15 2.21 -50.37 3 8 -1 130 395.391 5

Activity (Go SEA)

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