UCSF

ZINC38218801

Substance Information

In ZINC since Heavy atoms Benign functionality
January 12th, 2010 16 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) 0.28 -1.5 -46.07 9 4 1 106 217.296 1
Mid Mid (pH 6-8) 0.28 -1.75 -4.68 8 4 0 104 216.288 1
Lo Low (pH 4.5-6) 0.28 -1.66 -96.61 10 4 2 107 218.304 1

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

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