UCSF

ZINC34590083

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 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) 2.59 4.42 -11.18 2 3 0 41 222.263 1
Lo Low (pH 4.5-6) 2.59 4.87 -44.5 3 3 1 46 223.271 1

Activity (Go SEA)

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