UCSF

ZINC37098151

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 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) 2.17 3.67 -46.32 3 3 1 40 259.32 7
Mid Mid (pH 6-8) 2.17 5.74 -121.9 4 3 2 41 260.328 7

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Rings

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