UCSF

ZINC52457126

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2010 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) 2.83 7.69 -56.23 3 6 1 72 322.429 9
Hi High (pH 8-9.5) 2.83 5.45 -20.96 2 6 0 71 321.421 9

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Rings

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