UCSF

ZINC55252487

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2010 23 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) 2.07 9.91 -37.03 1 5 1 43 321.489 6
Hi High (pH 8-9.5) 2.07 7.32 -11.91 0 5 0 41 320.481 6

Activity (Go SEA)

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