UCSF

ZINC25919342

Substance Information

In ZINC since Heavy atoms Benign functionality
February 2nd, 2009 28 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) 2.54 6.36 -48.95 5 7 1 106 448.341 8
Hi High (pH 8-9.5) 2.54 4.1 -15.6 4 7 0 105 447.333 8

Activity (Go SEA)

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