UCSF

ZINC20400418

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2008 20 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 1.53 4.05 -46.06 3 4 1 53 274.388 7
Hi High (pH 8-9.5) 1.52 5.79 -31.47 3 4 1 53 274.388 7
Lo Low (pH 4.5-6) 1.53 6.23 -116.92 4 4 2 54 275.396 7

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