UCSF

ZINC52039630

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2010 18 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) 2.41 8.08 -39.04 1 4 1 40 252.334 8
Mid Mid (pH 6-8) 2.41 6.1 -7.76 0 4 0 39 251.326 8

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Rings

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