UCSF

ZINC69117142

Substance Information

In ZINC since Heavy atoms Benign functionality
October 19th, 2011 24 No

Download: MOL2 SDF SMILES Flexibase

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) 3.20 5.41 -38.47 2 5 -1 81 358.468 4
Mid Mid (pH 6-8) 2.74 6.97 -11.96 3 5 0 78 359.476 4

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

No pre-computed analogs available. Try a structural similarity search.