UCSF

ZINC38837306

Substance Information

In ZINC since Heavy atoms Benign functionality
January 30th, 2010 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) 5.45 13.68 -57.55 1 4 1 38 435.038 7
Hi High (pH 8-9.5) 5.45 11.7 -13.61 0 4 0 36 434.03 7

Activity (Go SEA)

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