UCSF

ZINC69474004

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2011 19 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) 2.22 7.18 -28.26 2 3 1 31 256.373 3
Hi High (pH 8-9.5) 2.22 6.55 -7.05 1 3 0 30 255.365 3
Mid Mid (pH 6-8) 2.22 8.84 -104.76 3 3 2 36 257.381 3
Mid Mid (pH 6-8) 2.22 8.44 -34.77 2 3 1 34 256.373 3

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

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