UCSF

ZINC44430466

Substance Information

In ZINC since Heavy atoms Benign functionality
May 25th, 2010 34 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) 6.34 17.13 -187.51 1 8 -3 149 482.638 24
Lo Low (pH 4.5-6) 6.34 15.16 -111.73 2 8 -2 147 483.646 24

Activity (Go SEA)

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