UCSF

ZINC72322779

Substance Information

In ZINC since Heavy atoms Benign functionality
June 15th, 2012 27 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) 1.45 9.19 -13.28 0 6 0 65 359.433 3
Mid Mid (pH 6-8) 1.45 11.55 -47.3 1 6 1 66 360.441 3

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

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