UCSF

ZINC17352912

Substance Information

In ZINC since Heavy atoms Benign functionality
September 19th, 2008 12 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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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) -0.40 -4.19 -99.38 0 7 -2 111 163.096 0
Lo Low (pH 4.5-6) -0.86 -3.11 -59.28 1 7 -1 107 164.104 0

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

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