UCSF

ZINC16953017

Substance Information

In ZINC since Heavy atoms Benign functionality
September 11th, 2008 18 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) -1.68 9.59 -23.75 0 4 1 32 281.43 4
Lo Low (pH 4.5-6) -0.74 9.62 -75.81 1 4 2 34 282.438 5

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

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