UCSF

ZINC49342005

Substance Information

In ZINC since Heavy atoms Benign functionality
September 27th, 2010 19 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) 1.27 5.01 -13.36 1 6 0 71 260.297 4
Hi High (pH 8-9.5) 1.34 2.81 -51.35 0 6 -1 78 259.289 4

Activity (Go SEA)

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