UCSF

ZINC37818642

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 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) -0.68 5.43 -52.88 3 7 1 92 297.379 6
Mid Mid (pH 6-8) -0.68 5.1 -24.05 2 7 0 90 296.371 6

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Rings

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