UCSF

ZINC15784409

Substance Information

In ZINC since Heavy atoms Benign functionality
July 30th, 2008 10 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) 1.06 4.22 -5.8 0 2 0 37 132.166 1
Lo Low (pH 4.5-6) 1.06 4.49 -38.96 1 2 1 38 133.174 1

Activity (Go SEA)

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