UCSF

ZINC05907799

Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 2006 12 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) 2.32 4.7 -6.55 1 2 0 29 169.268 3
Lo Low (pH 4.5-6) 2.51 3.41 -30.2 2 2 1 34 170.276 3

Activity (Go SEA)

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