UCSF

ZINC67491334

Substance Information

In ZINC since Heavy atoms Benign functionality
September 10th, 2011 28 Yes

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) 3.48 11.57 -40.92 2 5 1 51 370.48 5
Hi High (pH 8-9.5) 3.48 11.06 -11.59 1 5 0 50 369.472 5
Mid Mid (pH 6-8) 3.48 13.26 -55.6 2 5 1 51 370.48 5
Mid Mid (pH 6-8) 3.48 13.77 -114.1 3 5 2 52 371.488 5

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

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