UCSF

ZINC05164183

Substance Information

In ZINC since Heavy atoms Benign functionality
January 24th, 2006 28 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) 3.78 6.06 -9.04 3 6 0 97 372.428 4
Lo Low (pH 4.5-6) 3.78 6.3 -57.1 4 6 1 99 373.436 4

Activity (Go SEA)

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