UCSF

ZINC25155629

Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 2009 24 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) 2.56 8.65 -17.32 0 6 0 57 325.368 6
Lo Low (pH 4.5-6) 2.56 9.05 -34.82 1 6 1 58 326.376 6

Activity (Go SEA)

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