UCSF

ZINC05338505

Substance Information

In ZINC since Heavy atoms Benign functionality
January 30th, 2006 26 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) 4.32 11.26 -55.93 0 4 -1 77 363.393 5
Lo Low (pH 4.5-6) 4.32 11.42 -49.54 1 4 0 78 364.401 5

Activity (Go SEA)

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