UCSF

ZINC05455616

Substance Information

In ZINC since Heavy atoms Benign functionality
February 2nd, 2006 17 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) 3.42 8.57 -48.38 0 2 -1 40 233.331 1
Lo Low (pH 4.5-6) 3.42 6.62 -3.98 1 2 0 37 234.339 1

Activity (Go SEA)

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