UCSF

ZINC20231154

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 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) 4.79 13.39 -70.48 1 6 0 74 464.606 12
Lo Low (pH 4.5-6) 4.79 12.56 -44.96 2 6 1 71 465.614 12

Activity (Go SEA)

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