UCSF

ZINC05389841

Substance Information

In ZINC since Heavy atoms Benign functionality
January 31st, 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) 1.02 2.61 -4.61 1 2 0 33 161.204 1
Lo Low (pH 4.5-6) 1.02 2.91 -32.52 2 2 1 34 162.212 1

Activity (Go SEA)

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