UCSF

ZINC38585780

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 21 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) 0.92 1.28 -44.21 2 7 -1 96 303.733 5
Mid Mid (pH 6-8) 0.92 0.31 -103.49 1 7 -2 98 302.725 5
Lo Low (pH 4.5-6) 0.92 2.01 -11.19 3 7 0 94 304.741 5
Lo Low (pH 4.5-6) 0.92 2.18 -29.7 4 7 1 95 305.749 3

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

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