UCSF

ZINC36881266

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 21 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) 2.40 4.77 -49.53 1 5 -1 77 331.845 8
Mid Mid (pH 6-8) 2.40 4.76 -14.67 2 5 0 75 332.853 8

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Rings

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