UCSF

ZINC44659801

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 14 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) 0.09 1.32 -41.74 3 4 1 55 219.33 6
Mid Mid (pH 6-8) 0.09 0.12 -11.4 2 4 0 50 218.322 6

Activity (Go SEA)

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