UCSF

ZINC15842137

Substance Information

In ZINC since Heavy atoms Benign functionality
August 1st, 2008 25 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) 4.25 10.17 -26.07 0 4 0 42 332.403 2
Lo Low (pH 4.5-6) 4.25 10.47 -31.73 1 4 1 44 333.411 2

Activity (Go SEA)

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