UCSF

ZINC04746136

Substance Information

In ZINC since Heavy atoms Benign functionality
January 2nd, 2006 26 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) 4.14 8.86 -13.33 2 5 0 59 345.402 5
Mid Mid (pH 6-8) 4.14 9.36 -30.32 3 5 1 60 346.41 5

Activity (Go SEA)

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