UCSF

ZINC68010542

Substance Information

In ZINC since Heavy atoms Benign functionality
September 19th, 2011 25 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 0.65 2.24 -66.51 2 7 0 85 372.466 7
Hi High (pH 8-9.5) 0.65 2.14 -65.27 2 7 0 85 372.466 7
Hi High (pH 8-9.5) 0.65 -0.13 -42.96 1 7 -1 84 371.458 7
Lo Low (pH 4.5-6) 0.65 2.24 -46.17 3 7 1 83 373.474 7

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

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