UCSF

ZINC49420850

Substance Information

In ZINC since Heavy atoms Benign functionality
September 28th, 2010 25 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) 3.29 5.04 -8.69 1 5 0 45 360.841 4
Mid Mid (pH 6-8) 3.29 7.3 -50.72 2 5 1 46 361.849 4

Activity (Go SEA)

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