UCSF

ZINC06274241

Substance Information

In ZINC since Heavy atoms Benign functionality
March 17th, 2006 24 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) 2.66 11.35 -15.25 1 6 0 69 324.384 4
Mid Mid (pH 6-8) 2.84 11.91 -51.66 2 6 1 74 325.392 4

Activity (Go SEA)

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