UCSF

ZINC71888359

Substance Information

In ZINC since Heavy atoms Benign functionality
February 15th, 2012 24 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) 1.42 4.01 -17.36 2 8 0 102 323.312 3
Mid Mid (pH 6-8) 1.42 3.99 -50.55 1 8 -1 100 322.304 3

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

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