UCSF

ZINC00752112

Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2004 21 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) 2.27 5.95 -18.4 1 6 0 79 282.303 2
Hi High (pH 8-9.5) 2.27 6.7 -62.27 0 6 -1 82 281.295 2
Mid Mid (pH 6-8) 2.70 3.6 -11.56 2 6 0 84 282.303 2

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

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