UCSF

ZINC05095139

Substance Information

In ZINC since Heavy atoms Benign functionality
January 20th, 2006 25 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) 3.04 5.15 -9.04 3 5 0 88 332.338 2
Lo Low (pH 4.5-6) 3.04 5.45 -59.37 4 5 1 89 333.346 2

Activity (Go SEA)

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