UCSF

ZINC25453560

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 30 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) 4.78 10.1 -20.13 1 6 0 77 446.935 5
Mid Mid (pH 6-8) 4.78 10.17 -40.59 0 6 -1 79 445.927 5

Activity (Go SEA)

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