UCSF

ZINC25366976

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2009 30 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) 2.30 9.34 -13.76 0 6 0 47 428.964 6
Lo Low (pH 4.5-6) 2.30 10.09 -26.27 1 6 0 48 429.972 6

Activity (Go SEA)

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