UCSF

ZINC05164673

Substance Information

In ZINC since Heavy atoms Benign functionality
January 24th, 2006 21 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) 1.47 7.94 -11.43 0 5 0 69 281.267 3
Lo Low (pH 4.5-6) 1.47 8.42 -43.11 1 5 1 71 282.275 3

Activity (Go SEA)

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