UCSF

ZINC09312985

Substance Information

In ZINC since Heavy atoms Benign functionality
August 18th, 2007 35 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) 4.60 12.2 -59.33 0 6 -1 79 468.529 7
Mid Mid (pH 6-8) 5.05 12.09 -12.36 1 6 0 76 469.537 6

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

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