UCSF

ZINC53129547

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 20 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) 2.48 3.91 -8.63 2 5 0 78 286.722 3
Lo Low (pH 4.5-6) 2.48 4.36 -36.04 3 5 1 79 287.73 3

Activity (Go SEA)

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