UCSF

ZINC41680766

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 18 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) 2.80 9.66 -38.9 1 3 1 31 250.341 6
Hi High (pH 8-9.5) 2.80 7.18 -4.98 0 3 0 30 249.333 6

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Rings

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