UCSF

ZINC05069478

Substance Information

In ZINC since Heavy atoms Benign functionality
January 19th, 2006 26 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) 2.76 4.85 -53.31 2 7 -1 99 349.37 4
Lo Low (pH 4.5-6) 2.31 7.38 -11.93 3 7 0 96 350.378 4

Activity (Go SEA)

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