UCSF

ZINC49474906

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2010 17 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) 1.60 6.18 -81.67 4 3 2 33 243.439 9
Lo Low (pH 4.5-6) 1.60 7.52 -195.76 5 3 3 38 244.447 9

Activity (Go SEA)

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