UCSF

ZINC36881301

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 18 No

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) 2.35 4.46 -44.34 0 5 -1 75 290.748 7
Mid Mid (pH 6-8) 2.35 4.4 -12.63 1 5 0 72 291.756 7

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Rings

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