UCSF

ZINC54930948

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2010 15 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) 2.96 5.04 -26.95 3 3 1 53 206.313 1
Mid Mid (pH 6-8) 2.96 4.93 -7.23 2 3 0 52 205.305 1
Lo Low (pH 4.5-6) 2.96 5.1 -27.74 3 3 1 53 206.313 1

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

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