UCSF

ZINC34883455

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 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) 3.54 7.34 -15.12 4 5 0 83 331.404 2
Lo Low (pH 4.5-6) 3.54 7.62 -39.29 5 5 1 85 332.412 2

Activity (Go SEA)

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