UCSF

ZINC54797105

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2010 20 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) -1.26 4.78 -34.74 4 5 1 76 279.27 2
Mid Mid (pH 6-8) -1.26 4.31 -8.77 3 5 0 75 278.262 2
Lo Low (pH 4.5-6) -1.26 5.08 -99.64 5 5 2 78 280.278 2

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

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