UCSF

ZINC68960785

Substance Information

In ZINC since Heavy atoms Benign functionality
October 16th, 2011 18 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) 1.67 3.28 -42.01 2 4 1 51 279.332 6
Hi High (pH 8-9.5) 1.67 0.96 -7.68 1 4 0 49 278.324 6

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Rings

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