UCSF

ZINC05807926

Substance Information

In ZINC since Heavy atoms Benign functionality
February 15th, 2006 25 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) 4.77 9.23 -38.77 0 4 -1 53 353.467 6
Lo Low (pH 4.5-6) 4.77 9.77 -12.31 1 4 0 51 354.475 6

Activity (Go SEA)

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