UCSF

ZINC20025022

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2008 34 No

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) 2.44 9.37 -77.7 1 8 0 102 485.606 9
Lo Low (pH 4.5-6) 2.44 8.54 -56.66 2 8 1 99 486.614 9

Activity (Go SEA)

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