UCSF

ZINC48945357

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2010 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) 2.69 7.29 -28.5 1 5 0 79 324.818 5
Mid Mid (pH 6-8) 2.88 5.84 -51.36 0 5 -1 85 323.81 5

Activity (Go SEA)

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