UCSF

ZINC19401025

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 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) 2.30 5.54 -45.85 2 4 1 46 291.202 6
Hi High (pH 8-9.5) 2.30 3.31 -9.01 1 4 0 45 290.194 6

Activity (Go SEA)

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