UCSF

ZINC20127062

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 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) 2.85 6.28 -118.03 4 3 2 41 250.386 5
Hi High (pH 8-9.5) 2.85 4.56 -46.83 2 3 0 43 248.37 5
Mid Mid (pH 6-8) 2.85 5.14 -36.57 3 3 1 37 249.378 5

Activity (Go SEA)

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