UCSF

ZINC26372354

Substance Information

In ZINC since Heavy atoms Benign functionality
February 6th, 2009 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) 3.45 10.13 -12.47 1 4 0 46 325.437 5
Lo Low (pH 4.5-6) 3.45 10.47 -37.54 2 4 1 48 326.445 5

Activity (Go SEA)

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