UCSF

ZINC05177797

Substance Information

In ZINC since Heavy atoms Benign functionality
January 24th, 2006 28 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) 8.90 19.16 -90.92 0 4 -2 80 396.612 23
Lo Low (pH 4.5-6) 8.90 17.19 -48.18 1 4 -1 77 397.62 23

Activity (Go SEA)

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