UCSF

ZINC37078990

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 13 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) 1.60 5.77 -34.14 3 2 1 30 179.287 4
Hi High (pH 8-9.5) 1.60 3.45 -2.6 2 2 0 29 178.279 4

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Rings

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