UCSF

ZINC53654580

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2010 28 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) 2.52 9.62 -82.82 4 6 2 81 390.572 7
Hi High (pH 8-9.5) 2.52 7.14 -13.55 2 6 0 78 388.556 7
Mid Mid (pH 6-8) 2.52 9.21 -43.77 3 6 1 79 389.564 7

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

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