UCSF

ZINC42899462

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 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) 0.07 0.13 -51.36 4 4 1 60 239.339 7
Hi High (pH 8-9.5) 0.07 2.46 -32.39 4 4 1 60 239.339 7
Mid Mid (pH 6-8) 0.07 2.13 -119.16 5 4 2 62 240.347 7

Activity (Go SEA)

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