UCSF

ZINC69944494

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2011 16 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) 1.88 4.03 -38.21 3 2 1 31 243.44 2
Hi High (pH 8-9.5) 1.88 3.41 -1.39 2 2 0 29 242.432 2
Mid Mid (pH 6-8) 1.88 5.37 -29.26 3 2 1 30 243.44 2
Mid Mid (pH 6-8) 1.88 5.77 -112.7 4 2 2 32 244.448 2

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

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