UCSF

ZINC48334901

Substance Information

In ZINC since Heavy atoms Benign functionality
September 14th, 2010 20 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) 1.93 6.41 -12.25 1 4 0 59 268.316 3
Lo Low (pH 4.5-6) 1.93 6.77 -39.3 2 4 1 60 269.324 3

Activity (Go SEA)

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