UCSF

ZINC30913027

Substance Information

In ZINC since Heavy atoms Benign functionality
April 4th, 2009 21 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) 5.15 9.66 -46.94 2 2 1 26 418.124 5
Mid Mid (pH 6-8) 5.15 8.38 -4.24 1 2 0 21 417.116 5

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