UCSF

ZINC06620728

Substance Information

In ZINC since Heavy atoms Benign functionality
April 10th, 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) 5.27 11.82 -60.84 0 4 -1 60 376.476 8
Mid Mid (pH 6-8) 4.69 1.29 -9.77 0 4 0 54 377.484 8
Lo Low (pH 4.5-6) 5.27 10.99 -13.49 1 4 0 58 377.484 8

Activity (Go SEA)

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