UCSF

ZINC39856488

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2010 32 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 7.85 14.79 -18.46 1 4 0 51 471.066 9
Hi High (pH 8-9.5) 8.04 12.4 -45.53 0 4 -1 58 470.058 9

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