UCSF

ZINC37044972

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 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) 0.15 0.69 -45.78 4 6 1 92 259.326 6
Hi High (pH 8-9.5) 0.34 -0.9 -39.11 3 6 0 99 258.318 6

Activity (Go SEA)

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