UCSF

ZINC40291264

Substance Information

In ZINC since Heavy atoms Benign functionality
April 5th, 2010 19 No

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) 1.83 4.62 -12.69 2 5 0 64 280.397 2
Lo Low (pH 4.5-6) 1.83 4.79 -34.42 3 5 1 66 281.405 2

Activity (Go SEA)

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