UCSF

ZINC62534908

Substance Information

In ZINC since Heavy atoms Benign functionality
May 2nd, 2011 16 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) 0.26 6.5 -40.29 2 5 1 57 224.284 7
Mid Mid (pH 6-8) 0.26 6.86 -49.71 2 5 1 61 224.284 7
Mid Mid (pH 6-8) 0.26 7.37 -101.42 3 5 2 62 225.292 7
Mid Mid (pH 6-8) 0.26 5.99 -12.3 1 5 0 56 223.276 7

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

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