UCSF

ZINC21171032

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2008 24 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) 4.07 8.54 -13.64 1 4 0 47 324.424 7
Mid Mid (pH 6-8) 4.07 8.95 -31.94 2 4 1 49 325.432 7

Activity (Go SEA)

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