UCSF

ZINC14260951

Substance Information

In ZINC since Heavy atoms Benign functionality
July 6th, 2008 17 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) -0.98 5.93 -12.25 0 7 0 86 231.215 1
Mid Mid (pH 6-8) -0.98 6.43 -46.27 1 7 1 87 232.223 1

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

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