UCSF

ZINC25384928

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2009 29 Yes

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) 3.19 8.43 -10.32 1 5 0 59 394.515 8
Lo Low (pH 4.5-6) 3.19 10.77 -47.55 2 5 1 60 395.523 8

Activity (Go SEA)

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