UCSF

ZINC36881334

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 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) 2.50 4.09 -11.55 1 3 0 46 247.747 5
Hi High (pH 8-9.5) 2.50 4.26 -42.57 0 3 -1 48 246.739 5

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Rings

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