UCSF

ZINC33968725

Substance Information

In ZINC since Heavy atoms Benign functionality
August 5th, 2009 25 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) 2.72 7.96 -39.5 4 5 1 72 333.415 4
Hi High (pH 8-9.5) 2.72 5.48 -13.36 3 5 0 71 332.407 4

Activity (Go SEA)

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