UCSF

ZINC22747669

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2008 26 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) 1.32 5.16 -14.6 0 8 0 82 362.43 5
Lo Low (pH 4.5-6) 1.32 7.17 -62.43 1 8 1 83 363.438 5
Lo Low (pH 4.5-6) 1.32 9.43 -119.21 2 8 2 84 364.446 5

Activity (Go SEA)

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