UCSF

ZINC17723902

Substance Information

In ZINC since Heavy atoms Benign functionality
September 24th, 2008 15 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) 1.25 2.63 -6.52 3 4 0 69 202.213 0
Hi High (pH 8-9.5) 2.15 -1.28 -39.12 2 4 -1 72 201.205 0
Hi High (pH 8-9.5) 2.15 -1.37 -45.86 2 4 -1 72 201.205 0
Mid Mid (pH 6-8) 1.30 1.06 -30.27 3 4 1 67 203.221 0

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

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