UCSF

ZINC37824469

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 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) -1.81 1.13 -54.74 4 7 1 114 265.293 7
Hi High (pH 8-9.5) -1.81 0.73 -16.1 3 7 0 112 264.285 7

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Rings

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