UCSF

ZINC34552465

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 16 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) 3.60 8.75 -45.96 0 2 -1 40 223.267 4
Lo Low (pH 4.5-6) 3.60 6.7 -6.05 1 2 0 37 224.275 4

Activity (Go SEA)

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