UCSF

ZINC19989557

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 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) 3.31 9.52 -118.34 3 2 2 21 282.497 8
Mid Mid (pH 6-8) 3.31 8.19 -32.79 2 2 1 16 281.489 8

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Rings

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