UCSF

ZINC36877589

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 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) 3.69 11.14 -13.65 0 6 0 54 457.965 5
Mid Mid (pH 6-8) 3.69 13.39 -63.02 1 6 1 55 458.973 5

Activity (Go SEA)

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