UCSF

ZINC19997892

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 33 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) 3.00 8.21 -49.28 0 9 -1 119 515.34 7
Mid Mid (pH 6-8) 3.00 10.56 -67.6 1 9 0 120 516.348 7
Lo Low (pH 4.5-6) 3.00 9.73 -60.74 2 9 1 117 517.356 7

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

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