UCSF

ZINC22742601

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2008 25 No

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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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) 2.30 6.2 -22.88 2 9 0 130 363.399 8
Hi High (pH 8-9.5) 2.12 5.14 -43.81 1 9 -1 136 362.391 8

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

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