UCSF

ZINC52106413

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2010 15 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) 1.13 4.27 -35.78 2 4 1 43 215.317 7
Hi High (pH 8-9.5) 1.13 2 -6.62 1 4 0 42 214.309 7

Activity (Go SEA)

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