UCSF

ZINC34673971

Substance Information

In ZINC since Heavy atoms Benign functionality
September 19th, 2009 17 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) -0.37 3.14 -13.16 0 5 0 57 239.319 5
Mid Mid (pH 6-8) -0.37 5.41 -49.32 1 5 1 58 240.327 5

Activity (Go SEA)

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