UCSF

ZINC71572108

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2011 24 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) 4.56 8.52 -17.05 1 4 0 47 316.36 3
Hi High (pH 8-9.5) 4.56 9.25 -57.29 0 4 -1 50 315.352 3
Mid Mid (pH 6-8) 4.56 8.96 -32.55 2 4 1 48 317.368 3

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

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