UCSF

ZINC41586173

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 34 No

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) 4.25 12.51 -54.68 2 9 1 127 467.498 7
Hi High (pH 8-9.5) 4.25 10.23 -13.11 1 9 0 126 466.49 7
Mid Mid (pH 6-8) 4.25 13.09 -34.12 1 9 0 130 466.49 7

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

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