UCSF

ZINC39696824

Substance Information

In ZINC since Heavy atoms Benign functionality
March 3rd, 2010 32 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) 0.51 3.43 -57.16 3 9 1 96 512.473 5
Mid Mid (pH 6-8) 0.51 5.86 -110.88 4 9 2 98 513.481 5

Activity (Go SEA)

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