UCSF

ZINC20003738

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 20 Yes

Download: MOL2 SDF SMILES Flexibase

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) 4.30 11.08 -117.26 3 2 2 21 278.484 10
Mid Mid (pH 6-8) 4.30 9.8 -42.42 2 2 1 20 277.476 10

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Rings

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