UCSF

ZINC37095945

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 15 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) 1.54 4.79 -118.6 4 3 2 45 212.337 6
Mid Mid (pH 6-8) 1.54 4.42 -27.19 3 3 1 44 211.329 6

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Rings

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