UCSF

ZINC39696791

Substance Information

In ZINC since Heavy atoms Benign functionality
March 3rd, 2010 31 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) 0.55 4.12 -56.32 3 7 1 78 433.548 4
Mid Mid (pH 6-8) 0.55 6.55 -109.76 4 7 2 80 434.556 4

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