UCSF

ZINC85221115

Substance Information

In ZINC since Heavy atoms Benign functionality
February 13th, 2013 10 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) 1.51 2.91 -22.15 1 2 0 37 157.6 1
Hi High (pH 8-9.5) 1.51 2.52 -38.35 0 2 -1 36 156.592 1
Mid Mid (pH 6-8) 1.51 1.76 -5.21 1 2 0 33 157.6 1

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

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