UCSF

ZINC49574738

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2010 27 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) 4.23 11.73 -33.26 1 4 1 39 376.505 5
Hi High (pH 8-9.5) 4.23 11.64 -10.08 0 4 0 38 375.497 5

Activity (Go SEA)

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