UCSF

ZINC51058062

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2010 24 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) 2.79 7.36 -39.46 3 5 1 63 352.524 8
Hi High (pH 8-9.5) 2.79 5.19 -10.3 2 5 0 61 351.516 8

Activity (Go SEA)

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