UCSF

ZINC04976933

Substance Information

In ZINC since Heavy atoms Benign functionality
January 13th, 2006 15 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) 1.27 6.06 -9.63 0 4 0 63 202.213 4
Lo Low (pH 4.5-6) 1.27 6.37 -37.46 1 4 1 64 203.221 4

Activity (Go SEA)

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