UCSF

ZINC37112432

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 17 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) 2.60 6.75 -94.88 4 2 2 32 240.366 6
Hi High (pH 8-9.5) 2.60 6.35 -29.2 3 2 1 30 239.358 6

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Rings

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