UCSF

ZINC51735017

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2010 21 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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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) 2.91 8.66 -34.25 2 5 1 60 299.435 10
Hi High (pH 8-9.5) 2.91 6.9 -8.91 1 5 0 59 298.427 10

Activity (Go SEA)

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