UCSF

ZINC06667803

Substance Information

In ZINC since Heavy atoms Benign functionality
April 13th, 2006 15 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) 0.72 3.31 -36.93 3 6 1 88 203.181 0
Hi High (pH 8-9.5) 0.72 2.17 -14.8 2 6 0 86 202.173 0

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

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