UCSF

ZINC71594613

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2011 19 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) 1.04 7.08 -34.76 3 3 1 40 263.405 6
Hi High (pH 8-9.5) 1.04 5.14 -47.02 3 3 1 40 263.405 6
Lo Low (pH 4.5-6) 1.04 7.4 -120.91 4 3 2 41 264.413 6

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

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