UCSF

ZINC53588001

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2010 19 Yes

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) 3.37 7.08 -39.56 2 3 1 35 266.405 9
Hi High (pH 8-9.5) 3.37 5.67 -5.15 1 3 0 30 265.397 9

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Rings

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