UCSF

ZINC33039431

Substance Information

In ZINC since Heavy atoms Benign functionality
May 15th, 2009 31 No

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) 6.31 12.22 -49.09 0 5 -1 58 471.389 5
Mid Mid (pH 6-8) 6.31 12.65 -20.54 1 5 0 56 472.397 5

Activity (Go SEA)

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