UCSF

ZINC54485564

Substance Information

In ZINC since Heavy atoms Benign functionality
December 4th, 2010 25 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) 3.53 8.79 -9.39 0 4 0 36 343.515 6
Lo Low (pH 4.5-6) 3.53 11 -49.99 1 4 1 38 344.523 6

Activity (Go SEA)

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