UCSF

ZINC49237219

Substance Information

In ZINC since Heavy atoms Benign functionality
September 26th, 2010 16 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) 1.60 2.5 -9.98 2 4 0 54 257.384 3
Mid Mid (pH 6-8) 1.78 2.08 -34.32 2 4 0 65 257.384 3
Mid Mid (pH 6-8) 2.52 3.12 -33.9 3 4 1 62 258.392 2

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

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