UCSF

ZINC14239702

Substance Information

In ZINC since Heavy atoms Benign functionality
July 5th, 2008 22 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) 3.82 5.78 -8.36 3 3 0 55 341.213 5
Mid Mid (pH 6-8) 3.82 6.7 -46.87 4 3 1 60 342.221 5

Activity (Go SEA)

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