UCSF

ZINC14255499

Substance Information

In ZINC since Heavy atoms Benign functionality
July 5th, 2008 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) 3.81 5.91 -8.31 1 3 0 46 255.383 5
Hi High (pH 8-9.5) 3.81 5.98 -38.99 0 3 -1 48 254.375 5

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Rings

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