UCSF

ZINC98090326

Substance Information

In ZINC since Heavy atoms Benign functionality
August 14th, 2014 23 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) -1.06 3.01 -84.35 3 8 0 108 336.429 15
Hi High (pH 8-9.5) -1.06 2.43 -59.77 2 8 -1 106 335.421 15
Lo Low (pH 4.5-6) -1.06 1.27 -49.22 4 8 1 105 337.437 15

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

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