UCSF

ZINC28568557

Substance Information

In ZINC since Heavy atoms Benign functionality
March 2nd, 2009 23 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) 2.26 4.84 -19.11 1 4 0 71 312.365 1
Hi High (pH 8-9.5) 2.84 4.83 -43.41 1 4 -1 77 311.357 1
Mid Mid (pH 6-8) 2.84 4.22 -16.15 2 4 0 75 312.365 1

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

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