UCSF

ZINC16957903

Substance Information

In ZINC since Heavy atoms Benign functionality
September 11th, 2008 15 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) 1.45 3.93 -39.75 1 5 -1 73 200.177 0
Mid Mid (pH 6-8) 1.91 1.87 -116.57 0 5 -2 76 199.169 0
Lo Low (pH 4.5-6) 1.91 1.14 -42.45 1 5 -1 73 200.177 0
Lo Low (pH 4.5-6) 1.18 4.51 -12.66 1 5 0 67 201.185 0

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

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