UCSF

ZINC37598547

Substance Information

In ZINC since Heavy atoms Benign functionality
November 27th, 2009 19 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) -0.81 5.55 -42.68 1 7 0 92 280.309 5
Hi High (pH 8-9.5) -0.81 3.72 -56.57 0 7 -1 91 279.301 5

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

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