UCSF

ZINC20127375

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 20 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) 1.43 5.95 -12.45 1 6 0 78 277.324 6
Mid Mid (pH 6-8) 1.43 7.37 -48.02 2 6 1 83 278.332 6

Activity (Go SEA)

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