UCSF

ZINC48641905

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2010 19 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) 2.36 6.9 -54.49 1 4 -1 69 343.222 4
Lo Low (pH 4.5-6) 2.36 5.84 -9.87 2 4 0 66 344.23 4

Activity (Go SEA)

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