UCSF

ZINC58325208

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2011 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) 0.96 3.76 -54.29 4 5 1 67 291.35 5
Hi High (pH 8-9.5) 0.96 2.32 -9.48 3 5 0 62 290.342 5
Mid Mid (pH 6-8) 0.96 3.92 -98.14 5 5 2 68 292.358 5

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

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