UCSF

ZINC34956093

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 18 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) 1.96 2.13 -8.56 1 5 0 72 239.234 2
Lo Low (pH 4.5-6) 1.76 4.18 -79.35 2 5 1 73 240.242 1
Lo Low (pH 4.5-6) 1.76 3.65 -86.8 2 5 1 73 240.242 1

Activity (Go SEA)

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