UCSF

ZINC03770860

Substance Information

In ZINC since Heavy atoms Benign functionality
November 26th, 2005 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) -0.82 -3.76 -12.27 5 8 0 141 270.299 4
Mid Mid (pH 6-8) -0.82 -3.24 -49.57 6 8 1 142 271.307 4

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

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