UCSF

ZINC60255441

Substance Information

In ZINC since Heavy atoms Benign functionality
March 17th, 2011 21 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) 1.32 3.85 -37.9 2 5 1 40 294.419 6
Hi High (pH 8-9.5) 1.32 1.33 -6.23 1 5 0 39 293.411 6
Lo Low (pH 4.5-6) 1.32 6.13 -101.36 3 5 2 42 295.427 6

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