UCSF

ZINC38837363

Substance Information

In ZINC since Heavy atoms Benign functionality
January 30th, 2010 36 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) 6.20 15.56 -48.96 1 7 1 65 535.13 13
Hi High (pH 8-9.5) 6.20 12.65 -11.43 0 7 0 64 534.122 13

Activity (Go SEA)

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