UCSF

ZINC16667126

Substance Information

In ZINC since Heavy atoms Benign functionality
September 4th, 2008 14 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) 1.43 2.16 -13.27 1 5 0 71 210.262 2
Mid Mid (pH 6-8) 1.43 2.12 -40.64 2 5 1 73 211.27 2
Lo Low (pH 4.5-6) 0.85 2.22 -38.36 3 5 1 75 211.27 2
Lo Low (pH 4.5-6) 0.04 0.37 -27.63 3 5 1 76 211.27 2

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

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