UCSF

ZINC22173810

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 21 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) 0.95 2.56 -51.23 3 5 1 59 295.403 5
Lo Low (pH 4.5-6) 0.95 4.5 -130.07 4 5 2 60 296.411 5

Activity (Go SEA)

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