UCSF

ZINC05965589

Substance Information

In ZINC since Heavy atoms Benign functionality
February 20th, 2006 24 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) 6.07 12.41 -7.1 1 2 0 29 330.818 3
Lo Low (pH 4.5-6) 6.07 12.71 -31.33 2 2 1 30 331.826 3

Activity (Go SEA)

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