UCSF

ZINC41685295

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 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) 0.35 3.02 -51.13 2 6 1 82 228.272 8
Hi High (pH 8-9.5) 0.35 1.66 -8.87 1 6 0 77 227.264 8

Activity (Go SEA)

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