UCSF

ZINC48946069

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2010 21 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) 2.03 7.16 -34.26 3 5 1 51 288.419 3
Hi High (pH 8-9.5) 2.03 5.1 -8.64 2 5 0 50 287.411 3
Hi High (pH 8-9.5) 2.03 5.51 -52.71 3 5 1 51 288.419 3
Mid Mid (pH 6-8) 2.03 7.56 -102.6 4 5 2 53 289.427 3

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

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