UCSF

ZINC49419674

Substance Information

In ZINC since Heavy atoms Benign functionality
September 28th, 2010 19 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) 1.90 3.35 -50.49 1 5 -1 77 283.373 6
Mid Mid (pH 6-8) 1.90 3.35 -13.62 2 5 0 75 284.381 6

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Rings

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