UCSF

ZINC40367360

Substance Information

In ZINC since Heavy atoms Benign functionality
April 6th, 2010 20 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) 0.77 3.74 -15.17 3 6 0 92 278.356 7
Lo Low (pH 4.5-6) 0.77 4.2 -45.93 4 6 1 93 279.364 7

Activity (Go SEA)

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