UCSF

ZINC06459053

Substance Information

In ZINC since Heavy atoms Benign functionality
March 30th, 2006 28 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) 3.78 9.07 -27.48 2 6 0 84 395.484 5
Mid Mid (pH 6-8) 4.41 -2.46 -11.19 2 6 0 84 395.484 5

Activity (Go SEA)

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