UCSF

ZINC14256690

Substance Information

In ZINC since Heavy atoms Benign functionality
July 5th, 2008 20 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) 3.66 6.01 -10.86 1 5 0 72 299.392 9
Hi High (pH 8-9.5) 3.66 6.1 -35.99 0 5 -1 75 298.384 9

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Rings

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