UCSF

ZINC53313219

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2010 36 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) 3.81 13.7 -36.13 2 8 1 85 485.612 6
Hi High (pH 8-9.5) 3.81 13.47 -42.87 0 8 -1 86 483.596 6
Mid Mid (pH 6-8) 3.81 13.27 -35.96 1 8 0 87 484.604 6

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

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