UCSF

ZINC45367132

Substance Information

In ZINC since Heavy atoms Benign functionality
July 29th, 2010 25 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) 3.39 7.6 -55.81 1 4 -1 77 347.475 2
Lo Low (pH 4.5-6) 3.39 5.74 -10.18 2 4 0 75 348.483 2

Activity (Go SEA)

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