UCSF

ZINC55032910

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2010 17 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) 3.33 6.4 -39.35 3 2 1 37 236.379 7
Hi High (pH 8-9.5) 3.33 5.31 -2.11 2 2 0 32 235.371 7

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Rings

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