UCSF

ZINC25145956

Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 2009 33 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) 6.41 11.73 -11.25 1 5 0 58 459.977 5
Mid Mid (pH 6-8) 6.41 12.05 -30.42 2 5 1 60 460.985 5

Activity (Go SEA)

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