UCSF

ZINC04272169

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2005 14 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) 1.98 3.46 -7.49 1 2 0 33 185.226 2
Lo Low (pH 4.5-6) 1.98 3.75 -35.62 2 2 1 34 186.234 2

Activity (Go SEA)

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