UCSF

ZINC37818633

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 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) -1.75 3.88 -52.75 3 7 1 92 269.325 4
Hi High (pH 8-9.5) -1.75 3.54 -23.93 2 7 0 90 268.317 4

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Rings

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