UCSF

ZINC70196208

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2011 17 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) 0.52 5.32 -105.38 5 4 2 61 230.315 2
Hi High (pH 8-9.5) 0.52 4.54 -8.28 3 4 0 58 228.299 2
Mid Mid (pH 6-8) 0.52 4.86 -54.66 4 4 1 60 229.307 2

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

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