UCSF

ZINC19518297

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2008 19 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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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) 0.52 5.44 -65.28 2 5 1 67 262.333 6
Hi High (pH 8-9.5) 0.52 2.94 -18.31 1 5 0 65 261.325 6

Activity (Go SEA)

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