UCSF

ZINC37333842

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 15 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) 0.91 5.31 -34.92 1 6 0 81 211.221 5
Hi High (pH 8-9.5) 0.91 3.04 -29.27 0 6 -1 80 210.213 5
Mid Mid (pH 6-8) 0.91 5.75 -52.66 2 6 1 83 212.229 5

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Rings

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