UCSF

ZINC71507735

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2011 14 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) 1.36 2.71 -35.24 2 3 1 29 199.318 3
Hi High (pH 8-9.5) 1.36 1.28 -1.82 1 3 0 24 198.31 3
Lo Low (pH 4.5-6) 1.36 4.93 -95.07 3 3 2 30 200.326 3

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

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