UCSF

ZINC41043990

Substance Information

In ZINC since Heavy atoms Benign functionality
April 15th, 2010 16 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) 0.34 -1.32 -9.03 3 5 0 84 262.356 5
Lo Low (pH 4.5-6) 0.34 -1.47 -54.19 4 5 1 85 263.364 5

Activity (Go SEA)

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