UCSF

ZINC22710065

Substance Information

In ZINC since Heavy atoms Benign functionality
December 19th, 2008 24 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) 3.53 8.84 -38.78 0 5 -1 71 473.097 2
Lo Low (pH 4.5-6) 3.07 9.91 -10.43 1 5 0 68 474.105 2

Activity (Go SEA)

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