UCSF

ZINC55151003

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2010 21 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) 2.87 7.62 -50.44 1 5 -1 78 292.355 7
Lo Low (pH 4.5-6) 2.87 5.64 -14.48 2 5 0 76 293.363 7

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Rings

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