UCSF

ZINC15883295

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2008 33 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) 1.75 10.7 -18.26 0 8 0 89 442.475 4
Lo Low (pH 4.5-6) 1.75 10.86 -55.86 1 8 1 90 443.483 4

Activity (Go SEA)

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