UCSF

ZINC15842145

Substance Information

In ZINC since Heavy atoms Benign functionality
August 1st, 2008 26 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) 4.07 10.85 -13.06 0 5 0 52 368.82 4
Lo Low (pH 4.5-6) 4.07 11.01 -37.91 1 5 1 53 369.828 4

Activity (Go SEA)

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