UCSF

ZINC44472530

Substance Information

In ZINC since Heavy atoms Benign functionality
July 14th, 2010 16 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) 1.13 3.24 -33.56 2 4 1 38 233.376 10
Hi High (pH 8-9.5) 1.13 2.27 -1.78 1 4 0 34 232.368 10
Lo Low (pH 4.5-6) 1.13 5.05 -103.25 3 4 2 40 234.384 10

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