UCSF

ZINC39917637

Substance Information

In ZINC since Heavy atoms Benign functionality
March 16th, 2010 33 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 5.40 16.44 -46.98 1 5 1 41 448.631 12
Mid Mid (pH 6-8) 5.40 16.75 -99.8 2 5 2 42 449.639 12

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