UCSF

ZINC37102984

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 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) 3.05 5.73 -38.92 3 4 1 63 266.361 7
Hi High (pH 8-9.5) 3.05 4.83 -6.56 2 4 0 59 265.353 7

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Rings

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