UCSF

ZINC22163976

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 20 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) 0.57 2.91 -66.6 2 6 -1 104 281.332 3
Lo Low (pH 4.5-6) 0.57 1.79 -20.6 3 6 0 101 282.34 3

Activity (Go SEA)

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