UCSF

ZINC08904721

Substance Information

In ZINC since Heavy atoms Benign functionality
August 1st, 2007 17 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) 3.51 3.42 -5.01 2 3 0 49 262.618 2
Hi High (pH 8-9.5) 3.41 4.47 -43.48 0 3 -1 48 261.61 2
Mid Mid (pH 6-8) 3.51 4.18 -39.77 1 3 -1 52 261.61 2

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

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