UCSF

ZINC34578002

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 23 No

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) 1.28 6.76 -13.1 6 6 0 112 307.357 3
Hi High (pH 8-9.5) 1.28 6.81 -40.92 5 6 -1 110 306.349 3

Activity (Go SEA)

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