UCSF

ZINC62527111

Substance Information

In ZINC since Heavy atoms Benign functionality
May 2nd, 2011 25 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) 2.87 11.04 -44.16 1 4 1 38 336.459 5
Hi High (pH 8-9.5) 2.87 8.71 -13.4 0 4 0 36 335.451 5
Lo Low (pH 4.5-6) 2.87 11.51 -81.2 2 4 2 39 337.467 5

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

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