UCSF

ZINC40334643

Substance Information

In ZINC since Heavy atoms Benign functionality
April 6th, 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) 0.22 1.21 -17.8 4 6 0 91 238.291 4
Mid Mid (pH 6-8) -0.22 -0.07 -55.96 4 6 1 89 239.299 4

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Rings

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