UCSF

ZINC05499981

Substance Information

In ZINC since Heavy atoms Benign functionality
February 3rd, 2006 29 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) 1.91 6.37 -56.56 1 8 -1 122 391.359 2
Lo Low (pH 4.5-6) 1.91 6.62 -62.8 2 8 0 123 392.367 2

Activity (Go SEA)

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