UCSF

ZINC27537063

Substance Information

In ZINC since Heavy atoms Benign functionality
February 17th, 2009 28 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) 3.74 11.36 -49.75 3 5 1 63 382.528 6
Hi High (pH 8-9.5) 3.74 9.12 -14.38 2 5 0 61 381.52 6

Activity (Go SEA)

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