UCSF

ZINC43190963

Substance Information

In ZINC since Heavy atoms Benign functionality
May 8th, 2010 29 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) 4.38 12.14 -49.19 2 5 1 60 400.539 11
Hi High (pH 8-9.5) 4.38 9.71 -12.47 1 5 0 59 399.531 11

Activity (Go SEA)

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