UCSF

ZINC37817069

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) 3.54 7.7 -42.74 3 3 1 48 332.295 6
Mid Mid (pH 6-8) 3.54 7.4 -7.2 2 3 0 46 331.287 6

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Rings

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