UCSF

ZINC20244973

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 16 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) 0.12 1.7 -108.89 0 6 -2 112 238.224 4
Mid Mid (pH 6-8) 0.12 1.59 -52.32 1 6 -1 110 239.232 4

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Rings

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