UCSF

ZINC34671985

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 35 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) 2.94 10.37 -18.77 1 8 0 84 472.545 7
Lo Low (pH 4.5-6) 2.94 10.7 -48.33 2 8 1 85 473.553 7

Activity (Go SEA)

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