UCSF

ZINC16886476

Substance Information

In ZINC since Heavy atoms Benign functionality
September 10th, 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) 0.04 -2.3 -9.12 2 5 0 78 164.168 0
Lo Low (pH 4.5-6) 0.04 -1.47 -26.99 3 5 1 79 165.176 0
Lo Low (pH 4.5-6) 0.04 -6.16 -27.64 3 5 1 79 165.176 0

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

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