UCSF

ZINC37314055

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 20 Yes

Download: MOL2 SDF SMILES Flexibase

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) 0.36 5.18 -51.47 4 6 1 81 278.38 3
Hi High (pH 8-9.5) 0.36 4.27 -11.8 3 6 0 76 277.372 3
Mid Mid (pH 6-8) 0.36 5.69 -116.39 5 6 2 82 279.388 3

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

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