UCSF

ZINC37598486

Substance Information

In ZINC since Heavy atoms Benign functionality
November 27th, 2009 19 No

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) -1.29 4.88 -37.05 2 7 0 94 269.301 6
Hi High (pH 8-9.5) -1.29 2.98 -56.46 1 7 -1 93 268.293 6

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

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