UCSF

ZINC72322811

Substance Information

In ZINC since Heavy atoms Benign functionality
June 15th, 2012 24 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) 2.07 9.68 -52.71 2 5 1 51 323.42 6
Hi High (pH 8-9.5) 2.07 7.2 -16.01 1 5 0 50 322.412 6

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

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