UCSF

ZINC19899633

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 19 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) 2.83 5.15 -6.3 2 3 0 41 317.186 3
Mid Mid (pH 6-8) 2.83 6.44 -33.28 3 3 1 46 318.194 3

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